Structure of PDB 6w17 Chain A Binding Site BS01

Receptor Information
>6w17 Chain A (length=380) Species: 284812 (Schizosaccharomyces pombe 972h-) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASFNVPIIMDNGTGYSKLGYAGNDAPSYVFPTVIATRATEDLDFFIGNDA
LKKASAGYSLDYPIRHGQIENWDHMERFWQQSLFKYLRCEPEDHYFLLTE
PPLNPPENRENTAEIMFESFNCAGLYIAVQAVLALAASWTSSKVTDRSLT
GTVVDSGDGVTHIIPVAEGYVIGSSIKTMPLAGRDVTYFVQSLLRDRNEP
SLKTAERIKEECCYVCPDIVKEFSRFDREPDRYLKYASSTTIDVGFERFL
APEIFFNPEIASFLTPLPELVDNVVQSSPIDVRKGLYKNIVLSGGSTLFK
NFGNRLQRDLKRIVDERIHRSEMLSGAKSGGVDVNVISHKRQRNAVWFGG
SLLAQTPEFGSYCHTKADYEEYGASIARRY
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 chain6w17 Chain A 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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PDB6w17 Cryo-EM reveals the transition of Arp2/3 complex from inactive to nucleation-competent state.
Resolution3.9 Å
Binding residue
(original residue number in PDB)		G13 T14 Y16 K18 G187 D188 K241 E242 G335 S336 L338 F339
Binding residue
(residue number reindexed from 1)		G12 T13 Y15 K17 G157 D158 K209 E210 G295 S296 L298 F299
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003779 actin binding
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0051015 actin filament binding
Biological Process
GO:0006897 endocytosis
GO:0030036 actin cytoskeleton organization
GO:0030041 actin filament polymerization
GO:0034314 Arp2/3 complex-mediated actin nucleation
GO:0044396 actin cortical patch organization
GO:0090135 actin filament branching
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005856 cytoskeleton
GO:0005885 Arp2/3 protein complex
GO:0030479 actin cortical patch
GO:0032153 cell division site
GO:0051285 cell cortex of cell tip

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6w17, PDBe:6w17, PDBj:6w17
PDBsum6w17
PubMed32839613
UniProtP32390|ARP3_SCHPO Actin-related protein 3 (Gene Name=act2)

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