Structure of PDB 8a5a Chain W Binding Site BS01

Receptor Information
>8a5a Chain W (length=427) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LQVYGGDEVSAVVIDPGSYTTNIGYSGSDFPQSILPSVYGKYTADEGNKK
IFSEQSIGIPRKDYELKPIIENGLVIDWDTAQEQWQWALQNELYLNSNSG
IPALLTEPVWNSTENRKKSLEVLLEGMQFEACYLAPTSTCVSFAAGRPNC
LVVDIGHDTCSVSPIVDGMTLSKSTRRNFIAGKFINHLIKKALEPKEIIP
LFAIKQRKPEFIKKTFDYEVDKSLYDYANNRGFFQECKETLCHICPTKTL
EETKTELSSTAKRSIESPWNEEIVFDNETRYGFAEELFLPKEDDIPANWP
RSNSGVVKTWRNDYVPLKELIGLADLVYSSIMSSDVDLRATLAHNVVLTG
GTSSIPGLSDRLMTELNKILPSLKFRILTTGHTIERQYQSWLGGSILTSL
GTFHQLWVGKKEYEEVGVERLLNDRFR
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 W Residue 500 [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)		G22 S23 Y24 H162 T164 Q240 K243 G413 T414 Q449
Binding residue
(residue number reindexed from 1)		G17 S18 Y19 H157 T159 Q235 K238 G351 T352 Q387
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003682 chromatin binding
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0042393 histone binding
Biological Process
GO:0006281 DNA repair
GO:0006325 chromatin organization
GO:0006338 chromatin remodeling
GO:0006351 DNA-templated transcription
GO:0006355 regulation of DNA-templated transcription
GO:0006357 regulation of transcription by RNA polymerase II
GO:0051382 kinetochore assembly
Cellular Component
GO:0000785 chromatin
GO:0000812 Swr1 complex
GO:0005634 nucleus
GO:0016514 SWI/SNF complex
GO:0031011 Ino80 complex
GO:0035267 NuA4 histone acetyltransferase complex
GO:0043232 intracellular non-membrane-bounded organelle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8a5a, PDBe:8a5a, PDBj:8a5a
PDBsum8a5a
PubMed36490333
UniProtP80428|ARP4_YEAST Actin-related protein 4 (Gene Name=ARP4)

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