Structure of PDB 8ouz Chain D Binding Site BS01

Receptor Information
>8ouz Chain D (length=234) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRSSLKEIEPNLFADEDSPVHGDILEFHGPEGTGKTEMLYHLTARCILPK
SEGGLEVEVLFIDTDYHFDMLRLVTILEHRLSQSSEEIIKYCLGRFFLVY
CSSSTHLLLTLYSLESMFCSHPSLCLLILDSLSAFYWIDRVNGGESVNLQ
ESTLRKCSQCLEKLVNDYRLVLFATTQTIMQDYRPYLCKAWQQLVKHRMF
FSKQNQFSLVSRCLKSNSLKKHFFIIGESGVEFC
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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8ouz Structure and function of the RAD51B-RAD51C-RAD51D-XRCC2 tumour suppressor.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		E50 G51 G53 K54 T55 R91 I272 G273 E274
Binding residue
(residue number reindexed from 1)		E31 G32 G34 K35 T36 R72 I226 G227 E228
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000400 four-way junction DNA binding
GO:0003677 DNA binding
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0140664 ATP-dependent DNA damage sensor activity
Biological Process
GO:0000278 mitotic cell cycle
GO:0000724 double-strand break repair via homologous recombination
GO:0001701 in utero embryonic development
GO:0001756 somitogenesis
GO:0006259 DNA metabolic process
GO:0006281 DNA repair
GO:0006310 DNA recombination
GO:0006974 DNA damage response
GO:0007098 centrosome cycle
GO:0010165 response to X-ray
GO:0010332 response to gamma radiation
GO:0022008 neurogenesis
GO:0035264 multicellular organism growth
GO:0042148 DNA strand invasion
GO:0043524 negative regulation of neuron apoptotic process
GO:0050769 positive regulation of neurogenesis
GO:0051321 meiotic cell cycle
GO:2000269 regulation of fibroblast apoptotic process
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005657 replication fork
GO:0005737 cytoplasm
GO:0005813 centrosome
GO:0005856 cytoskeleton
GO:0033063 Rad51B-Rad51C-Rad51D-XRCC2 complex
GO:0043231 intracellular membrane-bounded organelle

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8ouz, PDBe:8ouz, PDBj:8ouz
PDBsum8ouz
PubMed37344587
UniProtO43543|XRCC2_HUMAN DNA repair protein XRCC2 (Gene Name=XRCC2)

[Back to BioLiP]