Structure of PDB 8ouz Chain C Binding Site BS02

Receptor Information
>8ouz Chain C (length=308) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVLRVGLCPGLTEEMIQLLRSHRIKTVVDLVSADLEEVAQKCGLSYKALV
ALRRVLLAQFSAFPVNGADLYEELKTSTAILSTGIGSLDKLLDAGLYTGE
VTEIVGGPGSGKTQVCLCMAANVAHGLQQNVLYVDSNGGLTASRLLQLLQ
AKTQDEEEQAEALRRIQVVHAFDIFQMLDVLQELRGTVAQQVTGSSGTVK
VVVVDSVTAVVSPLLGGQQREGLALMMQLARELKTLARDLGMAVVVTNHI
TRDRDSGRLKPALGRSWSFVPSTRILLDTISGGRRMACLAKSSRQPTGFQ
EMVDIGTW
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain8ouz Chain D Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8ouz Structure and function of the RAD51B-RAD51C-RAD51D-XRCC2 tumour suppressor.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		F270 K297 R300 Q301
Binding residue
(residue number reindexed from 1)		F269 K291 R294 Q295
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000400 four-way junction DNA binding
GO:0003677 DNA binding
GO:0003697 single-stranded DNA binding
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008094 ATP-dependent activity, acting on DNA
GO:0016887 ATP hydrolysis activity
GO:0043015 gamma-tubulin binding
GO:0140664 ATP-dependent DNA damage sensor activity
Biological Process
GO:0000722 telomere maintenance via recombination
GO:0000723 telomere maintenance
GO:0000724 double-strand break repair via homologous recombination
GO:0006259 DNA metabolic process
GO:0006281 DNA repair
GO:0006310 DNA recombination
GO:0006974 DNA damage response
GO:0007131 reciprocal meiotic recombination
GO:0036297 interstrand cross-link repair
GO:0042148 DNA strand invasion
GO:0051276 chromosome organization
GO:0051726 regulation of cell cycle
Cellular Component
GO:0000781 chromosome, telomeric region
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005657 replication fork
GO:0005694 chromosome
GO:0005737 cytoplasm
GO:0005813 centrosome
GO:0005856 cytoskeleton
GO:0033063 Rad51B-Rad51C-Rad51D-XRCC2 complex

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8ouz, PDBe:8ouz, PDBj:8ouz
PDBsum8ouz
PubMed37344587
UniProtO75771|RA51D_HUMAN DNA repair protein RAD51 homolog 4 (Gene Name=RAD51D)

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