Structure of PDB 6w18 Chain B Binding Site BS01

Receptor Information
>6w18 Chain B (length=367) Species: 284812 (Schizosaccharomyces pombe 972h-) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IVLDNGTGFVKVGYAKDNFPRFQFPSIVGRPIKDVMVGDEAEAVRSLLQV
KYPMENGIIRDFEEMNQLWDYTFFEKLKIDPRGRKILLTEPPMNPVANRE
KMCETMFERYGFGGVYVAIQAVLSLYAQGLSSGVVVDSGDGVTHIVPVYE
SVVLNHLVGRLDVAGRDATRYLISLLLRKGYAFNRTADFETVREMKEKLC
YVSYDLELDHKLSEETTVLMRNYTLPDGRVIKVGSERYECPECLFQPHLV
GSEQPGLSEFIFDTIQAADVDIRKYLYRAIVLSGGSSMYAGLPSRLEKEI
KQLWFERVLHGDPARLPNFKVKIEDAPRRRHAVFIGGAVLADIMAQNDHM
WVSKAEWEEYGVRALDK
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 chain6w18 Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6w18 Cryo-EM reveals the transition of Arp2/3 complex from inactive to nucleation-competent state.
Resolution4.2 Å
Binding residue
(original residue number in PDB)		T12 G156 D157 E214
Binding residue
(residue number reindexed from 1)		T7 G139 D140 E197
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003779 actin binding
GO:0005524 ATP binding
GO:0051015 actin filament binding
Biological Process
GO:0000147 actin cortical patch assembly
GO:0006897 endocytosis
GO:0034314 Arp2/3 complex-mediated actin nucleation
GO:0090135 actin filament branching
Cellular Component
GO:0005737 cytoplasm
GO:0005856 cytoskeleton
GO:0005885 Arp2/3 protein complex
GO:0005938 cell cortex
GO:0030479 actin cortical patch
GO:0031097 medial cortex
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:6w18, PDBe:6w18, PDBj:6w18
PDBsum6w18
PubMed32839613
UniProtQ9UUJ1|ARP2_SCHPO Actin-related protein 2 (Gene Name=arp2)

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