Structure of PDB 7zvw Chain B Binding Site BS01

Receptor Information
>7zvw Chain B (length=350) Species: 644223 (Komagataella phaffii GS115) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVAALVIDNGSGMCKAGYAGDDAPHTVFPSVVGRPFVGDEAQSKRGILTL
RYPIEHGIVTNWDDMEKIWHHTFYNELRLAPEEHPVLLTEAPMNPKSNRE
KMTQIMFETFNVPAFYVSIQAVLSLYASGRTTGIVLDSGDGVTHVVPIYA
GFSLPHAILRIDLAGRDLTDYLMKILSERGYTFSTSAEREIVRDIKEKLC
YVALDFDQELQTEKSYELPDGQVITIGNERFRAPEALFHPSVLGLEASGI
DQTTYNSIMKCDVDVRKELYSNIVMSGGTTMFPGIAERMQKELTALAPSS
MKVKISAPPERKYSVWIGGSILASLGTFQQMWISKQEYDESGPSIVHLKC
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 chain7zvw Chain B Residue 401 [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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PDB7zvw The structure of the NuA4-Tip60 complex reveals the mechanism and importance of long-range chromatin modification.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		G14 S15 M17 K19 G157 D158 R211 K214 E215 G303 T304 M306 F307
Binding residue
(residue number reindexed from 1)		G10 S11 M13 K15 G139 D140 R193 K196 E197 G278 T279 M281 F282
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.-
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016787 hydrolase activity
Cellular Component
GO:0005737 cytoplasm
GO:0005856 cytoskeleton

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:7zvw, PDBe:7zvw, PDBj:7zvw
PDBsum7zvw
PubMed37550452
UniProtQ9P4D1|ACT_KOMPG Actin (Gene Name=ACT1)

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