Structure of PDB 8esc Chain R Binding Site BS01

Receptor Information
>8esc Chain R (length=417) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VYGGDEVSAVVIDPGSYTTNIGYSGSDFPQSILPSVYGKYTADEGNKKIF
SEQSIGIPRKDYELKPIIENGLVIDWDTAQEQWQWALQNELYLNSNSGIP
ALLTEPVWNSTENRKKSLEVLLEGMQFEACYLAPTSTCVSFAAGRPNCLV
VDIGHDTCSVSPIVDGMTLSKSTRRNFIAGKFINHLIKKALEPKEIIPLF
AIKQRKPEFIKKTFDYEVDKSLYDYANNRGFFQECKETLCHICPTKTLEE
TKTELSSTAKRSIESPWNEEIVFDNETRYGFAEELFLPKEDDIPANWPRS
NSGVVKTWELIGLADLVYSSIMSSDVDLRATLAHNVVLTGGTSSIPGLSD
RLMTELNKILPSLKFRILTTGHTIERQYQSWLGGSILTSLGTFHQLWVGK
KEYEEVGVERLLNDRFR
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 chain8esc Chain R Residue 501 [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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PDB8esc Structure and flexibility of the yeast NuA4 histone acetyltransferase complex.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		G22 S23 Y24 G161 H162 Q240 K243 E244 G413 T414 Q449
Binding residue
(residue number reindexed from 1)		G15 S16 Y17 G154 H155 Q233 K236 E237 G341 T342 Q377
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
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8esc, PDBe:8esc, PDBj:8esc
PDBsum8esc
PubMed36263929
UniProtP80428|ARP4_YEAST Actin-related protein 4 (Gene Name=ARP4)

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