Structure of PDB 4fo0 Chain A Binding Site BS01

Receptor Information
>4fo0 Chain A (length=502) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPLVPESLQEQIQSNFIIVIHPGSTTLRIGRATDTLPASIPHVIARRHKQ
QGQPLYKDSWLLREGLNKPESNEQRQNGLKMVDQAIWSKKMSNGTRRIPV
SPEQARSYNKQMRPAILDHCSGNKWTNTSHHPEYLVGEEALYVNPLDCYN
IHWPIRRGQLNIHPGPGGSLTAVLADIEVIWSHAIQKYLEIPLKDLKYYR
CILLIPDIYNKQHVKELVNMILMKMGFSGIVVHQESVCATYGSGLSSTCI
VDVGDQKTSVCCVEDGVSHRNTRLCLAYGGSDVSRCFYWLMQRAGFPYRE
CQLTNKMDCLLLQHLKETFCHLDQDISGLQDHEFQIRHPDSPALLYQFRL
GDEKLQAPMALFYPATFGIVGQKMTTLQHSLFEGKALGLDKAILHSIDCC
SSDDTKKKMYSSILVVGGGLMFHKAQEFLQHRILNKMPPSFRRIIENVDV
ITRPKDMDPRLIAWKGGAVLACLDTTQELWIYQREWQRFGVRMLRERAAF
VW
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 chain4fo0 Chain A Residue 702 [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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PDB4fo0 Structure of Actin-related protein 8 and its contribution to nucleosome binding.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		G54 S55 T56 R59 G285 D286 Q287 K288 G311 Q344 K347 E348 G540 M543
Binding residue
(residue number reindexed from 1)		G23 S24 T25 R28 G254 D255 Q256 K257 G280 Q313 K316 E317 G418 M421
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
Biological Process
GO:0000723 telomere maintenance
GO:0006275 regulation of DNA replication
GO:0006281 DNA repair
GO:0006282 regulation of DNA repair
GO:0006302 double-strand break repair
GO:0006310 DNA recombination
GO:0006338 chromatin remodeling
GO:0006355 regulation of DNA-templated transcription
GO:0033044 regulation of chromosome organization
GO:0045739 positive regulation of DNA repair
GO:0045893 positive regulation of DNA-templated transcription
GO:0045995 regulation of embryonic development
GO:0051301 cell division
GO:0051726 regulation of cell cycle
GO:0060382 regulation of DNA strand elongation
GO:1904507 positive regulation of telomere maintenance in response to DNA damage
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005694 chromosome
GO:0005813 centrosome
GO:0031011 Ino80 complex

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4fo0, PDBe:4fo0, PDBj:4fo0
PDBsum4fo0
PubMed22977180
UniProtQ9H981|ARP8_HUMAN Actin-related protein 8 (Gene Name=ACTR8)

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