Structure of PDB 6w17 Chain B Binding Site BS01

Receptor Information
>6w17 Chain B (length=364) Species: 284812 (Schizosaccharomyces pombe 972h-) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAPIVLDNGTGFVKVGYAKDNFPRFQFPSIVDVMVGDEAELLQVKYPMEN
GIIRDFEEMNQLWDYTFFEKLKIDPRGRKILLTEPPMNPVANREKMCETM
FERYGFGGVYVAIQAVLSLYAQGLSSGVVVDSGDGVTHIVPVYESVVLNH
LVGRLDVAGRDATRYLISLLLRKGYAFNRTADFETVREMKEKLCYVSYDL
ELDHKLSEETTVLMRNYTLPDGRVIKVGSERYECPECLFQPHLVGSEQPG
LSEFIFDTIQAADVDIRKYLYRAIVLSGGSSMYAGLPSRLEKEIKQLWFE
RVLHGDPARLPNFKVKIEDAPRRRHAVFIGGAVLADIMAQNDHMWVSKAE
WEEYGVRALDKLGP
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 B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		G11 T12 Q137 G156 D157 K213 E214 G302 R347
Binding residue
(residue number reindexed from 1)		G9 T10 Q114 G133 D134 K190 E191 G279 R324
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6w17, PDBe:6w17, PDBj:6w17
PDBsum6w17
PubMed32839613
UniProtQ9UUJ1|ARP2_SCHPO Actin-related protein 2 (Gene Name=arp2)

[Back to BioLiP]