Molecular Atlas
A CONNECTED RESEARCH COLLECTION
Explore the molecular atlas.
Eight starting points. Explore their genes, protein structures, and source evidence.
The collection groups research subjects. Spatial arrangement does not imply a physical interaction.
REPRESENTATION
Backbone and base rings from the atomic model.
GENE REFERENCE
Exons in gold · introns between · 5′ → 3′
The selected sequence, built as an ideal B-DNA atomic model.
LAYERS
GEOMETRY
Choose a construction and enable the geometry layer.
PHI RATIO φ = 1.618033…
OXT · OXTR
The molecular encounter
Explore oxytocin at its receptor, from the complete complex to the aromatic contact.
DOCKING SEQUENCE
Bound pose · experimental coordinates
Tilted Tyr2–Phe291 contact. Gold dashes measure a gap, not a chemical bond or an electron path. Pale green dashes mark the Tyr2–Leu316 hydrogen-bond contact.
LEARN THE RING
From atoms to orbitals
The lobes and motion guides are schematic. Colour shows orbital sign, not electrical charge. Ring hydrogens are implicit.
ELECTRONIC STRUCTURE
Inside the aromatic system
Explore calculated orbitals around a Tyr2–Phe291 fragment pair.
Orbital amplitude · Bohr⁻³ᐟ²
Oxytocin at OXTR
Oxytocin is a cyclic peptide with the sequence CYIQNCPLG–NH₂ and a Cys1–Cys6 disulfide. Tyr2 sits deep in the receptor pocket.
AROMATIC CONTACT
Gold dashes are a distance guide between the closest ring carbons, not a chemical bond or an electron path. Pale green dashes identify the Tyr2–Leu316 hydrogen-bond contact. Distances use the deposited heavy atoms. Ring angles use least-squares planes through the six ring carbons. Structural resolution and model uncertainty limit their interpretation.
ANIMATION
The final bound pose uses 7QVM coordinates. The approach is a rigid, illustrative translation along an outward vector. It is not a molecular-dynamics trajectory, docking search, free-energy calculation or observed entry pathway. Only the bound pose displays contact measurements.
7QVM is an engineered human receptor complex determined by cryo-EM at 3.25 Å. G protein and antibody components are omitted from this view.
The regular phenol ring and peptide attachment cue help explain the tyrosine side chain. They are idealised teaching geometry, with ring hydrogens implicit.
SIX P ORBITALS
Each aromatic carbon contributes a p orbital perpendicular to the ring plane. The two lobes have opposite wavefunction signs. Their colours do not represent positive and negative electrical charges.
THE SHARED π SYSTEM
MOTION GUIDES
Moving markers guide the explanation. Their number, route and speed are symbolic, not electron counts, electron trajectories or physical timescales. No stimulus or time-dependent calculation is being simulated.
CALCULATED VIEW
The separate Calculated mode retains the PBE0/def2-SVP fields for the capped Tyr2–Phe291 fragment pair. The teaching geometry does not replace those data.
A local quantum model
CALCULATION
ORBITALS
Source heavy-atom geometry · 7QVM ↗
PySCF · density functional theory ↗
Source data
Collection
{
"version": 1,
"title": "Molecular Atlas",
"records": [
{
"id": "OXTR",
"pdb": "7QVM",
"name": "Oxytocin receptor",
"context": "Oxytocin signalling",
"genes": [
"OXTR"
],
"geneIds": [
5021
],
"chains": [
"E"
],
"ligandChains": [
"D"
],
"contextChains": [
"A",
"B",
"C",
"F"
],
"note": "Engineered receptor complex. Receptor chain R and oxytocin chain L are shown initially. The complete deposited model also contains a G-protein chimera and an antibody fragment.",
"title": "Human Oxytocin receptor (OTR) oxytocin Gq chimera (mGoqi) complex",
"resolution": 3.25,
"method": "ELECTRON MICROSCOPY",
"source": "https://www.rcsb.org/structure/7QVM",
"sha256": "9df96fcec74a5008a318b50311b95a9faa814126517460c9732414c3190f4242",
"retrieved": "2026-10-21",
"sequenceType": "Deposited protein construct",
"sequences": [
{
"chain": "E",
"authorChain": "R",
"name": "Oxytocin receptor",
"sequence": "MEGALAANWSAEAANASAAPPGAEGNRTAGPPRRNEALARVEVAVLCLILLLALSGNACVLLALRTTRQKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTYRLAVLATWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYITWITLAVYIVPVIVLATCYGLISFKIWQNLRLKTAAAAAAEAPEGAAAGDGGRVALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDANAPKEASAFIIVMLLASLNSCCNPWIYMLFTGHLFHELVQRFLCCSASYLKGRRLGK",
"length": 359
}
],
"citation": {
"country": "UK",
"id": "primary",
"journal_abbrev": "Nat Commun",
"journal_id_ISSN": "2041-1723",
"journal_volume": "13",
"page_first": "4153",
"page_last": "4153",
"pdbx_database_id_DOI": "10.1038/s41467-022-31325-0",
"pdbx_database_id_PubMed": 35851571,
"rcsb_ORCID_identifiers": [
"0000-0001-5564-4303",
"?",
"0000-0002-6570-7336",
"0000-0002-2221-6238",
"0000-0003-0994-2937",
"0000-0003-4191-5306"
],
"rcsb_authors": [
"Waltenspuhl, Y.",
"Ehrenmann, J.",
"Vacca, S.",
"Thom, C.",
"Medalia, O.",
"Pluckthun, A."
],
"rcsb_journal_abbrev": "Nat Commun",
"title": "Structural basis for the activation and ligand recognition of the human oxytocin receptor.",
"year": 2022
},
"depositedLigands": []
},
{
"id": "SLC6A4",
"pdb": "5I6X",
"name": "Serotonin transporter",
"context": "Serotonin transport",
"genes": [
"SLC6A4"
],
"geneIds": [
6532
],
"chains": [
"A"
],
"ligands": [
"8PR"
],
"contextChains": [
"B",
"C"
],
"note": "Thermostabilised human serotonin transporter with paroxetine. Antibody chains are available in the complex layer. This is an engineered experimental construct.",
"title": "X-ray structure of the ts3 human serotonin transporter complexed with paroxetine at the central site",
"resolution": 3.14,
"method": "X-RAY DIFFRACTION",
"source": "https://www.rcsb.org/structure/5I6X",
"sha256": "29b8d278efa9ed9a9c5a64ea72718e84a6563dda26a7b978d71c7520cadecf61",
"retrieved": "2026-10-21",
"sequenceType": "Deposited protein construct",
"sequences": [
{
"chain": "A",
"authorChain": "A",
"name": "Sodium-dependent serotonin transporter",
"sequence": "GSQGERETWGKKVDFLLSVIGYAVDLGNVWRFPYICAQNGGGAFLLPYTIMAIFGGIPLFYMELALGQYHRNGCISIWRKICPIFKGIGYAICIIAFYIASYYNTIMAWALYYLISSFTDQLPWTSCKNSWNTGNCTNYFSEDNITWTLHSTSPAEEFYTRHVLQIHRSKGLQDLGGISWQLALCIMLIFTVIYFSIWKGVKTSGKVVWVTATFPYIALSVLLVRGATLPGAWRGVLFYLKPNWQKLLETGVWIDAAAQIFFSLGPGFGVLLAFASYNKFNNNCYQDALVTSVVNCMTSFVSGFVIFTVLGYMAEMRNEDVSEVAKDAGPSLLFITYAEAIANMPASTFFAIIFFLMLITLGLDSSFAGLEGVITAVLDEFPHVWAKRRERFVLAVVITCFFGSLVTLTFGGAYVVKLLEEYATGPAVLTVALIEAVAVSWFYGITQFCRDVKEMLGFSPGWFWRICWVAISPLFLLFIIASFLMSPPQLRLFQYNYPYWSIILGYAIGTSSFICIPTYIAYRLIITPGTFKERIIKSITPETPTLVPR",
"length": 549
}
],
"citation": {
"country": "UK",
"id": "primary",
"journal_abbrev": "Nature",
"journal_id_ASTM": "NATUAS",
"journal_id_CSD": "0006",
"journal_id_ISSN": "1476-4687",
"journal_volume": "532",
"page_first": "334",
"page_last": "339",
"pdbx_database_id_DOI": "10.1038/nature17629",
"pdbx_database_id_PubMed": 27049939,
"rcsb_ORCID_identifiers": [
"?",
"?",
"?"
],
"rcsb_authors": [
"Coleman, J.A.",
"Green, E.M.",
"Gouaux, E."
],
"rcsb_journal_abbrev": "Nature",
"title": "X-ray structures and mechanism of the human serotonin transporter.",
"year": 2016
},
"depositedLigands": [
{
"id": "NAG",
"name": "2-acetamido-2-deoxy-beta-D-glucopyranose"
},
{
"id": "CLR",
"name": "CHOLESTEROL"
},
{
"id": "LMT",
"name": "DODECYL-BETA-D-MALTOSIDE"
},
{
"id": "8PR",
"name": "Paroxetine"
},
{
"id": "CL",
"name": "CHLORIDE ION"
},
{
"id": "NA",
"name": "SODIUM ION"
}
]
},
{
"id": "DRD2",
"pdb": "6CM4",
"name": "Dopamine D2 receptor",
"context": "Dopamine signalling",
"genes": [
"DRD2"
],
"geneIds": [
1813
],
"chains": [
"A"
],
"ligands": [
"8NU"
],
"contextChains": [],
"note": "Risperidone-bound D2 receptor–endolysin fusion. The displayed chain includes the engineered fusion domain; it is not a complete native receptor.",
"title": "Structure of the D2 Dopamine Receptor Bound to the Atypical Antipsychotic Drug Risperidone",
"resolution": 2.867,
"method": "X-RAY DIFFRACTION",
"source": "https://www.rcsb.org/structure/6CM4",
"sha256": "4ef8156b7a0ce71b4c012b8979b6f1ec051173456c4322c329a338393e534daa",
"retrieved": "2026-10-21",
"sequenceType": "Deposited protein construct",
"sequences": [
{
"chain": "A",
"authorChain": "A",
"name": "D(2) dopamine receptor, endolysin chimera",
"sequence": "NYYATLLTLLIAVIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASALNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMISIVWVLSFTISCPLLFGLNNADQNECIIANPAFVVYSSIVSFYVPFIVTLLVYIKIYIVLRRRRKRNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYKLSQQKEKKATQMAAIVAGVFIICWLPFFITHILNIHCDCNIPPVLYSAFTWLGYVNSAVNPIIYTTFNIEFRKAFLKILHC",
"length": 430
}
],
"citation": {
"country": "UK",
"id": "primary",
"journal_abbrev": "Nature",
"journal_id_ASTM": "NATUAS",
"journal_id_CSD": "0006",
"journal_id_ISSN": "1476-4687",
"journal_volume": "555",
"page_first": "269",
"page_last": "273",
"pdbx_database_id_DOI": "10.1038/nature25758",
"pdbx_database_id_PubMed": 29466326,
"rcsb_ORCID_identifiers": [
"?",
"?",
"?",
"?",
"?",
"?"
],
"rcsb_authors": [
"Wang, S.",
"Che, T.",
"Levit, A.",
"Shoichet, B.K.",
"Wacker, D.",
"Roth, B.L."
],
"rcsb_journal_abbrev": "Nature",
"title": "Structure of the D2 dopamine receptor bound to the atypical antipsychotic drug risperidone.",
"year": 2018
},
"depositedLigands": [
{
"id": "8NU",
"name": "3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one"
},
{
"id": "PEG",
"name": "DI(HYDROXYETHYL)ETHER"
},
{
"id": "OLA",
"name": "OLEIC ACID"
}
]
},
{
"id": "NMDA",
"pdb": "9IYQ",
"name": "NMDA receptor",
"context": "Learning & memory · synaptic plasticity",
"genes": [
"GRIN1",
"GRIN2B"
],
"geneIds": [
2902,
2904
],
"chains": [
"A",
"B",
"C",
"D"
],
"ligands": [
"GLY",
"7RC"
],
"contextChains": [],
"note": "Human GluN1/GluN2B receptor in the Mg²⁺-free experimental state, with glycine and the antagonist 7RC. This is one NMDA receptor subtype in a specific ligand-bound state. Unresolved and truncated regions are absent from the coordinates.",
"title": "Structure of the human GluN1-N2B NMDA receptors in the Mg2+ free state",
"resolution": 3.18,
"method": "ELECTRON MICROSCOPY",
"source": "https://www.rcsb.org/structure/9IYQ",
"sha256": "ed7a363d615476ca41fb7158e55de9e59775fd9488bcce42eaf3be87485f59ca",
"retrieved": "2026-10-21",
"sequenceType": "Deposited protein construct",
"sequences": [
{
"chain": "A",
"authorChain": "A",
"name": "Glutamate receptor ionotropic, NMDA 1",
"sequence": "MSTMRLLTLALLFSCSVARAACDPKIVNIGAVLSTRKHEQMFREAVNQANKRHGSWKIQLNATSVTHKPNAIQMALSVCEDLISSQVYAILVSHPPTPNDHFTPTPVSYTAGFYRIPVLGLTTRMSIYSDKSIHLSFLRTVPPYSHQSSVWFEMMRVYSWNHIILLVSDDHEGRAAQKRLETLLEERESKAEKVLQFDPGTKNVTALLMEAKELEARVIILSASEDDAATVYRAAAMLNMTGSGYVWLVGEREISGNALRYAPDGILGLQLINGKNESAHISDAVGVVAQAVHELLEKENITDPPRGCVGNTNIWKTGPLFKRVLMSSKYADGVTGRVEFNEDGDRKFANYSIMNLQNRKLVQVGIYNGTHVIPNDRKIIWPGGETEKPRGYQMSTRLKIVTIHQEPFVYVKPTLSDGTCKEEFTVNGDPVKKVICTGPNDTSPGSPRHTVPQCCYGFCIDLLIKLARTMNFTYEVHLVADGKFGTQERVNNSNKKEWNGMMGELLSGQADMIVAPLTINNERAQYIEFSKPFKYQGLTILVKKEIPRSTLDSFMQPFQSTLWLLVGLSVHVVAVMLYLLDRFSPFGRFKVNSEEEEEDALTLSSAMWFSWGVLLNSGIGEGAPRSFSARILGMVWAGFAMIIVASYTANLAAFLVLDRPEERITGINDPRLRNPSDKFIYATVKQSSVDIYFRRQVELSTMYRHMEKHNYESAAEAIQAVRDNKLHAFIWDSAVLEFEASQKCDLVTTGELFFRSGFGIGMRKDSPWKQNVSLSILKSHENGFMEDLDKTWVRYQECDSRSNAPATLTFENMAGVFMLVAGGIVAGIFLIFIEIAYKRHKDARRKQ",
"length": 847
},
{
"chain": "C",
"authorChain": "C",
"name": "Glutamate receptor ionotropic, NMDA 1",
"sequence": "MSTMRLLTLALLFSCSVARAACDPKIVNIGAVLSTRKHEQMFREAVNQANKRHGSWKIQLNATSVTHKPNAIQMALSVCEDLISSQVYAILVSHPPTPNDHFTPTPVSYTAGFYRIPVLGLTTRMSIYSDKSIHLSFLRTVPPYSHQSSVWFEMMRVYSWNHIILLVSDDHEGRAAQKRLETLLEERESKAEKVLQFDPGTKNVTALLMEAKELEARVIILSASEDDAATVYRAAAMLNMTGSGYVWLVGEREISGNALRYAPDGILGLQLINGKNESAHISDAVGVVAQAVHELLEKENITDPPRGCVGNTNIWKTGPLFKRVLMSSKYADGVTGRVEFNEDGDRKFANYSIMNLQNRKLVQVGIYNGTHVIPNDRKIIWPGGETEKPRGYQMSTRLKIVTIHQEPFVYVKPTLSDGTCKEEFTVNGDPVKKVICTGPNDTSPGSPRHTVPQCCYGFCIDLLIKLARTMNFTYEVHLVADGKFGTQERVNNSNKKEWNGMMGELLSGQADMIVAPLTINNERAQYIEFSKPFKYQGLTILVKKEIPRSTLDSFMQPFQSTLWLLVGLSVHVVAVMLYLLDRFSPFGRFKVNSEEEEEDALTLSSAMWFSWGVLLNSGIGEGAPRSFSARILGMVWAGFAMIIVASYTANLAAFLVLDRPEERITGINDPRLRNPSDKFIYATVKQSSVDIYFRRQVELSTMYRHMEKHNYESAAEAIQAVRDNKLHAFIWDSAVLEFEASQKCDLVTTGELFFRSGFGIGMRKDSPWKQNVSLSILKSHENGFMEDLDKTWVRYQECDSRSNAPATLTFENMAGVFMLVAGGIVAGIFLIFIEIAYKRHKDARRKQ",
"length": 847
},
{
"chain": "B",
"authorChain": "B",
"name": "Glutamate receptor ionotropic, NMDA 2B",
"sequence": "MKPRAECCSPKFWLVLAVLAVSGSRARSQKSPPSIGIAVILVGTSDEVAIKDAHEKDDFHHLSVVPRVELVAMNETDPKSIITRICDLMSDRKIQGVVFADDTDQEAIAQILDFISAQTLTPILGIHGGSSMIMADKDESSMFFQFGPSIEQQASVMLNIMEEYDWYIFSIVTTYFPGYQDFVNKIRSTIENSFVGWELEEVLLLDMSLDDGDSKIQNQLKKLQSPIILLYCTKEEATYIFEVANSVGLTGYGYTWIVPSLVAGDTDTVPAEFPTGLISVSYDEWDYGLPARVRDGIAIITTAASDMLSEHSFIPEPKSSCYNTHEKRIYQSNMLNRYLINVTFEGRNLSFSEDGYQMHPKLVIILLNKERKWERVGKWKDKSLQMKYYVWPRMCPETEEQEDDHLSIVTLEEAPFVIVESVDPLSGTCMRNTVPCQKRIVTENKTDEEPGYIKKCCKGFCIDILKKISKSVKFTYDLYLVTNGKHGKKINGTWNGMIGEVVMKRAYMAVGSLTINEERSEVVDFSVPFIETGISVMVSRSNGTVSPSAFLEPFSADVWVMMFVMLLIVSAVAVFVFEYFSPVGYNRCLADGREPGGPSFTIGKAIWLLWGLVFNNSVPVQNPKGTTSKIMVSVWAFFAVIFLASYTANLAAFMIQEEYVDQVSGLSDKKFQRPNDFSPPFRFGTVPNGSTERNIRNNYAEMHAYMGKFNQRGVDDALLSLKTGKLDAFIYDAAVLNYMAGRDEGCKLVTIGSGKVFASTGYGIAIQKDSGWKRQVDLAILQLFGDGEMEELEALWLTGICHNEKNEVMSSQLDIDNMAGVFYMLGAAMALSLITFICEHLF",
"length": 842
},
{
"chain": "D",
"authorChain": "D",
"name": "Glutamate receptor ionotropic, NMDA 2B",
"sequence": "MKPRAECCSPKFWLVLAVLAVSGSRARSQKSPPSIGIAVILVGTSDEVAIKDAHEKDDFHHLSVVPRVELVAMNETDPKSIITRICDLMSDRKIQGVVFADDTDQEAIAQILDFISAQTLTPILGIHGGSSMIMADKDESSMFFQFGPSIEQQASVMLNIMEEYDWYIFSIVTTYFPGYQDFVNKIRSTIENSFVGWELEEVLLLDMSLDDGDSKIQNQLKKLQSPIILLYCTKEEATYIFEVANSVGLTGYGYTWIVPSLVAGDTDTVPAEFPTGLISVSYDEWDYGLPARVRDGIAIITTAASDMLSEHSFIPEPKSSCYNTHEKRIYQSNMLNRYLINVTFEGRNLSFSEDGYQMHPKLVIILLNKERKWERVGKWKDKSLQMKYYVWPRMCPETEEQEDDHLSIVTLEEAPFVIVESVDPLSGTCMRNTVPCQKRIVTENKTDEEPGYIKKCCKGFCIDILKKISKSVKFTYDLYLVTNGKHGKKINGTWNGMIGEVVMKRAYMAVGSLTINEERSEVVDFSVPFIETGISVMVSRSNGTVSPSAFLEPFSADVWVMMFVMLLIVSAVAVFVFEYFSPVGYNRCLADGREPGGPSFTIGKAIWLLWGLVFNNSVPVQNPKGTTSKIMVSVWAFFAVIFLASYTANLAAFMIQEEYVDQVSGLSDKKFQRPNDFSPPFRFGTVPNGSTERNIRNNYAEMHAYMGKFNQRGVDDALLSLKTGKLDAFIYDAAVLNYMAGRDEGCKLVTIGSGKVFASTGYGIAIQKDSGWKRQVDLAILQLFGDGEMEELEALWLTGICHNEKNEVMSSQLDIDNMAGVFYMLGAAMALSLITFICEHLF",
"length": 842
}
],
"citation": {
"country": "US",
"id": "primary",
"journal_abbrev": "Neuron",
"journal_id_ASTM": "NERNET",
"journal_id_CSD": "2038",
"journal_id_ISSN": "0896-6273",
"journal_volume": "113",
"page_first": "1006",
"pdbx_database_id_DOI": "10.1016/j.neuron.2025.01.021",
"pdbx_database_id_PubMed": 40010346,
"rcsb_ORCID_identifiers": [
"?",
"?",
"?",
"?",
"?",
"?",
"?"
],
"rcsb_authors": [
"Huang, X.",
"Sun, X.",
"Wang, Q.",
"Zhang, J.",
"Wen, H.",
"Chen, W.J.",
"Zhu, S."
],
"rcsb_journal_abbrev": "Neuron",
"title": "Structural insights into the diverse actions of magnesium on NMDA receptors.",
"year": 2025
},
"depositedLigands": [
{
"id": "GLY",
"name": "GLYCINE"
},
{
"id": "NAG",
"name": "2-acetamido-2-deoxy-beta-D-glucopyranose"
},
{
"id": "7RC",
"name": "(2R)-4-(3-phosphonopropyl)piperazine-2-carboxylic acid"
}
]
},
{
"id": "IL6",
"pdb": "1ALU",
"name": "Interleukin-6",
"context": "Cytokine signalling",
"genes": [
"IL6"
],
"geneIds": [
3569
],
"chains": [
"A"
],
"ligands": [],
"contextChains": [],
"note": "Crystal structure of human interleukin-6. The deposited model represents the cytokine; it does not include its receptor complex.",
"title": "HUMAN INTERLEUKIN-6",
"resolution": 1.9,
"method": "X-RAY DIFFRACTION",
"source": "https://www.rcsb.org/structure/1ALU",
"sha256": "2b3f9bf4c873316e8d6300941dd0f741cda37b9104f6e4e7acb47255e824c03e",
"retrieved": "2026-10-21",
"sequenceType": "Deposited protein construct",
"sequences": [
{
"chain": "A",
"authorChain": "A",
"name": "INTERLEUKIN-6",
"sequence": "MAPVPPGEDSKDVAAPHRQPLTSSERIDKQIRYILDGISALRKETCNKSNMCESSKEALAENNLNLPKMAEKDGCFQSGFNEETCLVKIITGLLEFEVYLEYLQNRFESSEEQARAVQMSTKVLIQFLQKKAKNLDAITTPDPTTNASLLTKLQAQNQWLQDMTTHLILRSFKEFLQSSLRALRQM",
"length": 186
}
],
"citation": {
"country": "UK",
"id": "primary",
"journal_abbrev": "EMBO J.",
"journal_id_ASTM": "EMJODG",
"journal_id_CSD": "0897",
"journal_id_ISSN": "0261-4189",
"journal_volume": "16",
"page_first": "989",
"page_last": "997",
"pdbx_database_id_DOI": "10.1093/emboj/16.5.989",
"pdbx_database_id_PubMed": 9118960,
"rcsb_ORCID_identifiers": [
"?",
"?",
"?"
],
"rcsb_authors": [
"Somers, W.",
"Stahl, M.",
"Seehra, J.S."
],
"rcsb_journal_abbrev": "EMBO J",
"title": "1.9 A crystal structure of interleukin 6: implications for a novel mode of receptor dimerization and signaling.",
"year": 1997
},
"depositedLigands": [
{
"id": "SO4",
"name": "SULFATE ION"
},
{
"id": "TLA",
"name": "L(+)-TARTARIC ACID"
}
]
},
{
"id": "NR3C1",
"pdb": "1M2Z",
"name": "Glucocorticoid receptor",
"context": "Glucocorticoid signalling",
"genes": [
"NR3C1"
],
"geneIds": [
2908
],
"chains": [
"A",
"C"
],
"ligands": [
"DEX"
],
"contextChains": [
"B",
"D"
],
"note": "Ligand-binding domains with dexamethasone and TIF2 coactivator motifs. This partial, engineered construct does not contain the full glucocorticoid receptor or its DNA-binding domain.",
"title": "Crystal structure of a dimer complex of the human glucocorticoid receptor ligand-binding domain bound to dexamethasone and a TIF2 coactivator motif",
"resolution": 2.5,
"method": "X-RAY DIFFRACTION",
"source": "https://www.rcsb.org/structure/1M2Z",
"sha256": "b85290f126ed2220beb5907b59d9311239a8a9e79d4ad28ff6da7328b445bd10",
"retrieved": "2026-10-21",
"sequenceType": "Deposited protein construct",
"sequences": [
{
"chain": "A",
"authorChain": "A",
"name": "glucocorticoid receptor",
"sequence": "VPATLPQLTPTLVSLLEVIEPEVLYAGYDSSVPDSTWRIMTTLNMLGGRQVIAAVKWAKAIPGFRNLHLDDQMTLLQYSWMSLMAFALGWRSYRQSSANLLCFAPDLIINEQRMTLPCMYDQCKHMLYVSSELHRLQVSYEEYLCMKTLLLLSSVPKDGLKSQELFDEIRMTYIKELGKAIVKREGNSSQNWQRFYQLTKLLDSMHEVVENLLNYCFQTFLDKTMSIEFPEMLAEIITNQIPKYSNGNIKKLLFHQK",
"length": 257
},
{
"chain": "C",
"authorChain": "D",
"name": "glucocorticoid receptor",
"sequence": "VPATLPQLTPTLVSLLEVIEPEVLYAGYDSSVPDSTWRIMTTLNMLGGRQVIAAVKWAKAIPGFRNLHLDDQMTLLQYSWMSLMAFALGWRSYRQSSANLLCFAPDLIINEQRMTLPCMYDQCKHMLYVSSELHRLQVSYEEYLCMKTLLLLSSVPKDGLKSQELFDEIRMTYIKELGKAIVKREGNSSQNWQRFYQLTKLLDSMHEVVENLLNYCFQTFLDKTMSIEFPEMLAEIITNQIPKYSNGNIKKLLFHQK",
"length": 257
}
],
"citation": {
"country": "US",
"id": "primary",
"journal_abbrev": "Cell(Cambridge,Mass.)",
"journal_id_ASTM": "CELLB5",
"journal_id_CSD": "0998",
"journal_id_ISSN": "0092-8674",
"journal_volume": "110",
"page_first": "93",
"page_last": "105",
"pdbx_database_id_DOI": "10.1016/S0092-8674(02)00817-6",
"pdbx_database_id_PubMed": 12151000,
"rcsb_ORCID_identifiers": [
"?",
"?",
"?",
"?",
"?",
"?",
"?",
"?",
"?",
"?",
"?",
"?",
"?",
"?"
],
"rcsb_authors": [
"Bledsoe, R.B.",
"Montana, V.G.",
"Stanley, T.B.",
"Delves, C.J.",
"Apolito, C.J.",
"Mckee, D.D.",
"Consler, T.G.",
"Parks, D.J.",
"Stewart, E.L.",
"Willson, T.M.",
"Lambert, M.H.",
"Moore, J.T.",
"Pearce, K.H.",
"Xu, H.E."
],
"rcsb_journal_abbrev": "Cell",
"title": "Crystal Structure of the Glucocorticoid Receptor Ligand Binding Domain Reveals a Novel Mode of Receptor Dimerization and Coactivator Recognition",
"year": 2002
},
"depositedLigands": [
{
"id": "BOG",
"name": "octyl beta-D-glucopyranoside"
},
{
"id": "DEX",
"name": "DEXAMETHASONE"
}
]
},
{
"id": "DOCK2",
"pdb": "6TGB",
"name": "Dedicator of cytokinesis 2",
"context": "RAC activation · immune-cell migration",
"genes": [
"DOCK2"
],
"geneIds": [
1794
],
"chains": [
"A",
"C"
],
"ligands": [],
"contextChains": [
"B"
],
"note": "DOCK2 from the deposited DOCK2–ELMO1 complex. ELMO1 is available in the complex layer. At 5.50 Å resolution, fine atomic details require cautious interpretation.",
"title": "CryoEM structure of the binary DOCK2-ELMO1 complex",
"resolution": 5.5,
"method": "ELECTRON MICROSCOPY",
"source": "https://www.rcsb.org/structure/6TGB",
"sha256": "6a42f297e03f533faa40bc6f5bbec85024395b3391c37634e38067deaec0d367",
"retrieved": "2026-10-21",
"sequenceType": "Deposited protein construct",
"sequences": [
{
"chain": "A",
"authorChain": "A",
"name": "Dedicator of cytokinesis protein 2",
"sequence": "MAPWRKADKERHGVAIYNFQGSGAPQLSLQIGDVVRIQETCGDWYRGYLIKHKMLQGIFPKSFIHIKEVTVEKRRNTENIIPAEIPLAQEVTTTLWEWGSIWKQLYVASKKERFLQVQSMMYDLMEWRSQLLSGTLPKDELKELKQKVTSKIDYGNKILELDLIVRDEDGNILDPDNTSVISLFHAHEEATDKITERIKEEMSKDQPXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXGFPEIIMPGDVRNDIYITLLQGDFDKYNKTTQRNVEVIMCVCAEDGKTLPNAICVGAGDKPMNEYRSVVYYQVKQPRWMETVKVAVPIEDMQRIHLRFMFRHRSSLESKDKGEKNFAMSYVKLMKEDGTTLHDGFHDLVVLKGDSKKMEDASAYLTLPSYRHHVENKGATLSRSSSSVGGLSVSSRDVFSISTLVCSTXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXIMMEHSQSDEYDILVFDALIYIIGLIADRKFQXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXSSELVDFLMETFIMFKDLIGKNVYPGDWMAMSMVQNRVFLRAINKFAETMNQKFLEHTNFEFQLWNNYFHLAVAFITQDSLQLEQFSHAKYNKILNKYGDMRRLIGFSIRDMWYKLGQNKICFIPGMVGPILEMTLIPEAELRKATIPIFFDMMLCEYQRSGDFKKFENEIILKLDHEVEGGRGDEQYMQLLESILMECAAEHPTIAKSVENFVNLVKGLLEKLLDYRGVMTDESKDNRMSCTVNLLNFYKDNNREEMYIRYLYKLRDLHLDCDNYTEAAYTLLLHTWLLKWSDEQCASQVMQTGQQHPQTHRQLKETLYETIIGYFDKGKMWEEAISLCKELAEQYEMEIFDYELLSQNLIQQAKFYESIMKILRPKPDYFAVGYYGQGFPSFLRNKVFIYRGKEYERREDFQMQLMTQFPNAEKMNTTSAPGDDVKNAPGQYIQCFTVQPVLDEHPRFKNKPVPDQIINFYKSNYVQRFHYSRPVRRGTVDPENEFASMWIERTSFVTAYKLPGILRWFEVVHMSQTTISPLENAIETMSTANEKILMMINQYQSDETLPINPLSMLLNGIVDPAVMGGFAKYEKAFFTEEYVRDHPEDQDKLTHLKDLIAWQIPFLGAGIKIHEKRVSDNLRPFHDRMEECFKNLKMKVEKEYGVREMPDFDDRRVGRPRSMLRSYRQMSIISLASMNSDCSTPSKPTSESFDLELASPKTPRVEQEEPISPGSTLPEVKLRRSKKRTKRSSVVFADEKAAAESDLKRLSRKHEFMSDTNLSEHAAIPLKASVLSQMSFASQSMPTIPALALSVAGIPGLDEANTSPRLSQTFLQLSDGDKKTLTRKKVNQFFKTMLASKSAEEGKQIPDSLSTDL",
"length": 1830
},
{
"chain": "C",
"authorChain": "D",
"name": "Dedicator of cytokinesis protein 2",
"sequence": "MAPWRKADKERHGVAIYNFQGSGAPQLSLQIGDVVRIQETCGDWYRGYLIKHKMLQGIFPKSFIHIKEVTVEKRRNTENIIPAEIPLAQEVTTTLWEWGSIWKQLYVASKKERFLQVQSMMYDLMEWRSQLLSGTLPKDELKELKQKVTSKIDYGNKILELDLIVRDEDGNILDPDNTSVISLFHAHEEATDKITERIKEEMSKDQPXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXGFPEIIMPGDVRNDIYITLLQGDFDKYNKTTQRNVEVIMCVCAEDGKTLPNAICVGAGDKPMNEYRSVVYYQVKQPRWMETVKVAVPIEDMQRIHLRFMFRHRSSLESKDKGEKNFAMSYVKLMKEDGTTLHDGFHDLVVLKGDSKKMEDASAYLTLPSYRHHVENKGATLSRSSSSVGGLSVSSRDVFSISTLVCSTXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXIMMEHSQSDEYDILVFDALIYIIGLIADRKFQXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXSSELVDFLMETFIMFKDLIGKNVYPGDWMAMSMVQNRVFLRAINKFAETMNQKFLEHTNFEFQLWNNYFHLAVAFITQDSLQLEQFSHAKYNKILNKYGDMRRLIGFSIRDMWYKLGQNKICFIPGMVGPILEMTLIPEAELRKATIPIFFDMMLCEYQRSGDFKKFENEIILKLDHEVEGGRGDEQYMQLLESILMECAAEHPTIAKSVENFVNLVKGLLEKLLDYRGVMTDESKDNRMSCTVNLLNFYKDNNREEMYIRYLYKLRDLHLDCDNYTEAAYTLLLHTWLLKWSDEQCASQVMQTGQQHPQTHRQLKETLYETIIGYFDKGKMWEEAISLCKELAEQYEMEIFDYELLSQNLIQQAKFYESIMKILRPKPDYFAVGYYGQGFPSFLRNKVFIYRGKEYERREDFQMQLMTQFPNAEKMNTTSAPGDDVKNAPGQYIQCFTVQPVLDEHPRFKNKPVPDQIINFYKSNYVQRFHYSRPVRRGTVDPENEFASMWIERTSFVTAYKLPGILRWFEVVHMSQTTISPLENAIETMSTANEKILMMINQYQSDETLPINPLSMLLNGIVDPAVMGGFAKYEKAFFTEEYVRDHPEDQDKLTHLKDLIAWQIPFLGAGIKIHEKRVSDNLRPFHDRMEECFKNLKMKVEKEYGVREMPDFDDRRVGRPRSMLRSYRQMSIISLASMNSDCSTPSKPTSESFDLELASPKTPRVEQEEPISPGSTLPEVKLRRSKKRTKRSSVVFADEKAAAESDLKRLSRKHEFMSDTNLSEHAAIPLKASVLSQMSFASQSMPTIPALALSVAGIPGLDEANTSPRLSQTFLQLSDGDKKTLTRKKVNQFFKTMLASKSAEEGKQIPDSLSTDL",
"length": 1830
}
],
"citation": {
"country": "UK",
"id": "primary",
"journal_abbrev": "Nat Commun",
"journal_id_ISSN": "2041-1723",
"journal_volume": "11",
"page_first": "3464",
"page_last": "3464",
"pdbx_database_id_DOI": "10.1038/s41467-020-17271-9",
"pdbx_database_id_PubMed": 32651375,
"rcsb_ORCID_identifiers": [
"?",
"?",
"0000-0002-7819-8307",
"0000-0003-1218-6714",
"0000-0002-7268-9631",
"0000-0001-9135-6253",
"0000-0002-7848-3327",
"?",
"0000-0003-2896-9350",
"0000-0001-7055-2642",
"0000-0001-8810-950X"
],
"rcsb_authors": [
"Chang, L.",
"Yang, J.",
"Jo, C.H.",
"Boland, A.",
"Zhang, Z.",
"McLaughlin, S.H.",
"Abu-Thuraia, A.",
"Killoran, R.C.",
"Smith, M.J.",
"Cote, J.F.",
"Barford, D."
],
"rcsb_journal_abbrev": "Nat Commun",
"title": "Structure of the DOCK2-ELMO1 complex provides insights into regulation of the auto-inhibited state.",
"year": 2020
},
"depositedLigands": []
},
{
"id": "CD38",
"pdb": "1YH3",
"name": "CD38 extracellular domain",
"context": "NAD metabolism · calcium signalling",
"genes": [
"CD38"
],
"geneIds": [
952
],
"chains": [
"A"
],
"ligands": [],
"contextChains": [
"B"
],
"note": "Engineered extracellular domain of human CD38. The membrane-spanning region is absent. A second deposited copy is available in the complex layer.",
"title": "Crystal structure of human CD38 extracellular domain",
"resolution": 1.91,
"method": "X-RAY DIFFRACTION",
"source": "https://www.rcsb.org/structure/1YH3",
"sha256": "067d78c80288a67a7437ccdb7422e67e0a8fbc11288993c09079198b21633632",
"retrieved": "2026-10-21",
"sequenceType": "Deposited protein construct",
"sequences": [
{
"chain": "A",
"authorChain": "A",
"name": "ADP-ribosyl cyclase 1",
"sequence": "RWRQTWSGPGTTKRFPETVLARCVKYTEIHPEMRHVDCQSVWDAFKGAFISKHPCDITEEDYQPLMKLGTQTVPCNKILLWSRIKDLAHQFTQVQRDMFTLEDTLLGYLADDLTWCGEFATSKINYQSCPDWRKDCSNNPVSVFWKTVSRRFAEAACDVVHVMLDGSRSKIFDKDSTFGSVEVHNLQPEKVQTLEAWVIHGGREDSRDLCQDPTIKELESIISKRNIQFSCKNIYRPDKFLQCVKNPEDSSCTSEI",
"length": 256
}
],
"citation": {
"country": "UK",
"id": "primary",
"journal_abbrev": "Structure",
"journal_id_ASTM": "STRUE6",
"journal_id_CSD": "2005",
"journal_id_ISSN": "0969-2126",
"journal_volume": "13",
"page_first": "1331",
"page_last": "1339",
"pdbx_database_id_DOI": "10.1016/j.str.2005.05.012",
"pdbx_database_id_PubMed": 16154090,
"rcsb_ORCID_identifiers": [
"?",
"?",
"?",
"?",
"?",
"?"
],
"rcsb_authors": [
"Liu, Q.",
"Kriksunov, I.A.",
"Graeff, R.",
"Munshi, C.",
"Lee, H.C.",
"Hao, Q."
],
"rcsb_journal_abbrev": "Structure",
"title": "Crystal structure of human CD38 extracellular domain.",
"year": 2005
},
"depositedLigands": []
}
]
}Docking
{
"schema": "universal-informatics/oxtr-contact/v1",
"pdb": "7QVM",
"source": "https://files.rcsb.org/download/7QVM.pdb",
"sourceSHA256": "41b57ce550e83d1aa95308d4d8886bcfb9f0608535ce51b842af6376d77661db",
"publication": "https://www.nature.com/articles/s41467-022-31325-0",
"resolutionAngstrom": 3.25,
"ligand": [
{
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"residue": 1,
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"chain": "L",
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"position": [
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140.102,
173.553
]
},
{
"name": "CA",
"residue": 1,
"comp": "CYS",
"chain": "L",
"element": "C",
"position": [
141.737,
140.494,
172.801
]
},
{
"name": "C",
"residue": 1,
"comp": "CYS",
"chain": "L",
"element": "C",
"position": [
141.349,
140.943,
171.388
]
},
{
"name": "O",
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"comp": "CYS",
"chain": "L",
"element": "O",
"position": [
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141.757,
170.807
]
},
{
"name": "CB",
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"position": [
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139.336,
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]
},
{
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"position": [
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138.927,
174.31
]
},
{
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140.431,
170.862
]
},
{
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"position": [
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]
},
{
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141.966,
169.686
]
},
{
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"position": [
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142.939,
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},
{
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},
{
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},
{
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},
{
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},
{
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},
{
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},
{
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136.692,
167.869
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},
{
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},
{
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},
{
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},
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},
{
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},
{
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142.573,
170.381
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},
{
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"position": [
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141.349,
171.061
]
},
{
"name": "CG2",
"residue": 3,
"comp": "ILE",
"chain": "L",
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"position": [
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142.41,
168.87
]
},
{
"name": "CD1",
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"position": [
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141.043,
170.599
]
},
{
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142.634,
173.18
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},
{
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},
{
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},
{
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},
{
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175.339
]
},
{
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141.84,
176.762
]
},
{
"name": "CD",
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177.427
]
},
{
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139.494,
176.905
]
},
{
"name": "NE2",
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"chain": "L",
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140.786,
178.583
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},
{
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143.162,
176.3
]
},
{
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143.361,
176.798
]
},
{
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"position": [
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142.035,
177.195
]
},
{
"name": "O",
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"chain": "L",
"element": "O",
"position": [
140.914,
141.162,
177.776
]
},
{
"name": "CB",
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"comp": "ASN",
"chain": "L",
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"position": [
140.918,
144.318,
177.991
]
},
{
"name": "CG",
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"chain": "L",
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"position": [
139.865,
143.957,
179.023
]
},
{
"name": "OD1",
"residue": 5,
"comp": "ASN",
"chain": "L",
"element": "O",
"position": [
139.134,
142.979,
178.869
]
},
{
"name": "ND2",
"residue": 5,
"comp": "ASN",
"chain": "L",
"element": "N",
"position": [
139.783,
144.75,
180.085
]
},
{
"name": "N",
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"position": [
142.843,
141.87,
176.846
]
},
{
"name": "CA",
"residue": 6,
"comp": "CYS",
"chain": "L",
"element": "C",
"position": [
143.56,
140.607,
177.168
]
},
{
"name": "C",
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"comp": "CYS",
"chain": "L",
"element": "C",
"position": [
143.778,
140.518,
178.681
]
},
{
"name": "O",
"residue": 6,
"comp": "CYS",
"chain": "L",
"element": "O",
"position": [
144.309,
141.487,
179.258
]
},
{
"name": "CB",
"residue": 6,
"comp": "CYS",
"chain": "L",
"element": "C",
"position": [
144.906,
140.553,
176.458
]
},
{
"name": "SG",
"residue": 6,
"comp": "CYS",
"chain": "L",
"element": "S",
"position": [
144.763,
140.478,
174.653
]
},
{
"name": "N",
"residue": 7,
"comp": "PRO",
"chain": "L",
"element": "N",
"position": [
143.399,
139.405,
179.345
]
},
{
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},
{
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},
{
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},
{
"name": "C",
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},
{
"name": "O",
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},
{
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},
{
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},
{
"name": "CD1",
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},
{
"name": "CD2",
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},
{
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},
{
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},
{
"name": "CZ",
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},
{
"name": "N",
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"position": [
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},
{
"name": "CA",
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"position": [
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},
{
"name": "C",
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"position": [
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},
{
"name": "O",
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},
{
"name": "CB",
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},
{
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},
{
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"position": [
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},
{
"name": "CD2",
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],
"rings": [
{
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[
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[
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],
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[
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[
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],
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}
],
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"approachVector": [
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"hydrogenBond": [
[
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[
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],
"measurements": {
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},
"interpretation": "Deposited bound pose. Interpolated approach is illustrative, not a calculated binding trajectory. Aromatic contact is not classified as a parallel pi stack. No affinity or activation prediction."
}Calculated orbitals
{
"schema": "universal-informatics/quantum-fragment/v1",
"software": "PySCF 2.14.0",
"method": "PBE0 / def2-SVP",
"densityFitting": true,
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"convergenceToleranceHartree": 1e-09,
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"atoms": [
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{
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{
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{
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{
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{
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},
{
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},
{
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{
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{
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{
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{
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{
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{
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{
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},
{
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},
{
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{
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{
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{
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{
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{
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{
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{
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{
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{
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},
{
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},
{
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{
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},
{
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}
],
"orbitals": [
{
"id": "homo-minus-1",
"index": 53,
"energyEV": -7.1031849597193,
"occupation": 2.0,
"file": "homo-minus-1.cube",
"min": -0.21426538660457028,
"max": 0.21950498657705256
},
{
"id": "homo",
"index": 54,
"energyEV": -6.177474573284318,
"occupation": 2.0,
"file": "homo.cube",
"min": -0.28037254852972066,
"max": 0.263746907881252
},
{
"id": "lumo",
"index": 55,
"energyEV": -0.1414146849892533,
"occupation": 0.0,
"file": "lumo.cube",
"min": -0.200981036825699,
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}
],
"gridSpacingBohr": 0.38,
"cubeLengthUnit": "Bohr",
"orbitalUnit": "Bohr^(-3/2)",
"densityUnit": "electrons / Bohr^3",
"sourcePDB": "7QVM",
"sourceSHA256": "41b57ce550e83d1aa95308d4d8886bcfb9f0608535ce51b842af6376d77661db",
"fragmentSHA256": "c9445c2d800c0b01d12b65ea6b670f21165d9750adbaecb6d32352afa101d9cf",
"model": "Neutral p-cresol and toluene pair representing capped Tyr2 and Phe291 side chains.",
"preparation": "Deposited heavy atoms fixed; beta-carbon bonds to the omitted backbone replaced by methyl hydrogens. Aromatic and hydroxyl hydrogens added at idealised geometry. No optimisation.",
"environment": "Gas phase; no protein embedding, water, membrane or ions.",
"interpretation": "Stationary single-point electronic model. Orbitals are wavefunctions, not electron trajectories. Orbital signs are not electrical charges. This fragment model does not predict binding affinity or receptor activation.",
"limitations": "Results depend on capping, proton orientation, basis and density functional. No time-dependent response or biological validation. The visualization grid undersamples core-density peaks and is not an electron-count integration grid.",
"references": [
"https://www.rcsb.org/structure/7QVM",
"https://www.nature.com/articles/s41467-022-31325-0",
"https://pyscf.org/user/dft.html"
],
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}
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