Structure of PDB 5nwl Chain D Binding Site BS03

Receptor Information
>5nwl Chain D (length=302) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPQPISRLEQCGINANDVKKLEEAGFHTVEAVAYAPKKELINIKGISEAK
ADKILAEAAKLVPMGFTTATEFHQRRSEIIQITTGSKELDKLLQGGIETG
SITEMFGEFRTGKTQICHTLAVTCQLPIDRGGGEGKAMYIDTEGTFRPER
LLAVAERYGLSGSDVLDNVAYARAFNTDHQTQLLYQASAMMVESRYALLI
VDSATALYRTDYSGRGELSARQMHLARFLRMLLRLADEFGVAVVITNQVV
GGNIIAHASTTRLYLRKGRGETRICKIYDSPCLPEAEAMFAINADGVGDA
KD
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 chain5nwl Chain E Residue 402 [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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PDB5nwl Two distinct conformational states define the interaction of human RAD51-ATP with single-stranded DNA.
Resolution3.93 Å
Binding residue
(original residue number in PDB)		L320 P321 E322
Binding residue
(residue number reindexed from 1)		L283 P284 E285
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000150 DNA strand exchange activity
GO:0000166 nucleotide binding
GO:0003677 DNA binding
GO:0003682 chromatin binding
GO:0003690 double-stranded 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:0017116 single-stranded DNA helicase activity
GO:0019899 enzyme binding
GO:0042802 identical protein binding
GO:0070182 DNA polymerase binding
GO:0140664 ATP-dependent DNA damage sensor activity
Biological Process
GO:0000722 telomere maintenance via recombination
GO:0000724 double-strand break repair via homologous recombination
GO:0000730 DNA recombinase assembly
GO:0006259 DNA metabolic process
GO:0006268 DNA unwinding involved in DNA replication
GO:0006281 DNA repair
GO:0006310 DNA recombination
GO:0006312 mitotic recombination
GO:0006974 DNA damage response
GO:0007131 reciprocal meiotic recombination
GO:0010569 regulation of double-strand break repair via homologous recombination
GO:0010833 telomere maintenance via telomere lengthening
GO:0031297 replication fork processing
GO:0032200 telomere organization
GO:0036297 interstrand cross-link repair
GO:0042148 DNA strand invasion
GO:0051106 positive regulation of DNA ligation
GO:0051321 meiotic cell cycle
GO:0070192 chromosome organization involved in meiotic cell cycle
GO:0071312 cellular response to alkaloid
GO:0071479 cellular response to ionizing radiation
GO:0072711 cellular response to hydroxyurea
GO:0072757 cellular response to camptothecin
GO:1990414 replication-born double-strand break repair via sister chromatid exchange
GO:1990426 mitotic recombination-dependent replication fork processing
GO:1990918 double-strand break repair involved in meiotic recombination
GO:2000001 regulation of DNA damage checkpoint
Cellular Component
GO:0000152 nuclear ubiquitin ligase complex
GO:0000228 nuclear chromosome
GO:0000781 chromosome, telomeric region
GO:0000785 chromatin
GO:0000793 condensed chromosome
GO:0000794 condensed nuclear chromosome
GO:0000800 lateral element
GO:0001673 male germ cell nucleus
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005694 chromosome
GO:0005730 nucleolus
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix
GO:0005813 centrosome
GO:0005829 cytosol
GO:0005856 cytoskeleton
GO:0016605 PML body
GO:0032991 protein-containing complex
GO:0035861 site of double-strand break
GO:0048471 perinuclear region of cytoplasm
GO:0099182 presynaptic intermediate filament cytoskeleton

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5nwl, PDBe:5nwl, PDBj:5nwl
PDBsum5nwl
PubMed29507080
UniProtQ06609|RAD51_HUMAN DNA repair protein RAD51 homolog 1 (Gene Name=RAD51)

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