Structure of PDB 8a5a Chain U Binding Site BS01

Receptor Information
>8a5a Chain U (length=690) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KAAEEFAKTLKKIGIEKVETTTLPATGLFQPLMLINQKNYSSDYLKKDDQ
IFALRDRKFLRNNNLNDEIDLNDPTATIVIHPGSNSIKIGFPKDDHPVVV
PNCVAVPKKWLDLENSEHVENVCLQREQSEEFNNIKSEMEKNFRERMRYY
KRKVPGNAHEQVVSFNENSKPEIISEKNDPSPIEWIFDDSKLYYGSDALR
CVDEKFVIRKPFRGGSFNVKSPYYKSLAELISDVTKLLEHALNSETLNVK
PTKFNQYKVVLVIPDIFKKSHVETFIRVLLTELQFQAVAIIQESLATCYG
AGISTSTCVVNIGAAETRIACVDEGTVLEHSAITLDYGGDDITRLFALFL
LQSDFPLQDWKIDSKHGWLLAERLKKNFTTFQDADVAVQLYNFMNRSPNQ
PTEKYEFKLFDEVMLAPLALFFPQIFKLIRTSSHKNSSLEFQLPESRDLF
TNELNDWNSLSQFESKEGNLYCDLNDDLKILNRILDAHNIIDQLQDKPEN
YGNTLKENFAPLEKAIVQSIANASITADVTRMNSFYSNILIVGGSSKIPA
LDFILTDRINIWRPSLLSSASFPQFYKKLTKEIKDLEGHYVNAPDKTEDE
NKQILQAQIKEKIVEELEEQHQNIEHQNGNEHIFPVSIIPPPRDMNPALI
IWKGASVLAQIKLVEELFITNSDWDVHGSRILQYKCIFTY
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 chain8a5a Chain U Residue 900 [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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PDB8a5a Structural mechanism of extranucleosomal DNA readout by the INO80 complex.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		G274 S275 N276 K279 G405 G504 A505 D531 E563 K567 G735 K738
Binding residue
(residue number reindexed from 1)		G83 S84 N85 K88 G214 G313 A314 D340 E372 K376 G544 K547
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003729 mRNA binding
GO:0005515 protein binding
GO:0005524 ATP binding
Biological Process
GO:0006281 DNA repair
GO:0006302 double-strand break repair
GO:0006312 mitotic recombination
GO:0006338 chromatin remodeling
GO:0006355 regulation of DNA-templated transcription
GO:0006974 DNA damage response
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005856 cytoskeleton
GO:0031011 Ino80 complex
GO:0043232 intracellular non-membrane-bounded organelle

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8a5a, PDBe:8a5a, PDBj:8a5a
PDBsum8a5a
PubMed36490333
UniProtQ12386|ARP8_YEAST Actin-like protein ARP8 (Gene Name=ARP8)

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