Structure of PDB 8uxw Chain B Binding Site BS01

Receptor Information
>8uxw Chain B (length=387) Species: 4896 (Schizosaccharomyces pombe) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MESAPIVLDNGTGFVKVGYAKDNFPRFQFPSIVGRPILRAEEKTGNVQIK
DVMVGDEAEAVRSLLQVKYPMENGIIRDFEEMNQLWDYTFFEKLKIDPRG
RKILLTEPPMNPVANREKMCETMFERYGFGGVYVAIQAVLSLYAQGLSSG
VVVDSGDGVTHIVPVYESVVLNHLVGRLDVAGRDATRYLISLLLRKGYAF
NRTADFETVREMKEKLCYVSYDLELDHKLSEETTVLMRNYTLPDGRVIKV
GSERYECPECLFQPHLVGSEQPGLSEFIFDTIQAADVDIRKYLYRAIVLS
GGSSMYAGLPSRLEKEIKQLWFERVLHGDPARLPNFKVKIEDAPRRRHAV
FIGGAVLADIMAQNDHMWVSKAEWEEYGVRALDKLGP
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 chain8uxw Chain B Residue 902 [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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PDB8uxw High resolution cryo-EM structures reveal how phosphate release from Arp3 weakens actin filament branches formed by the Arp2/3 complex
Resolution2.7 Å
Binding residue
(original residue number in PDB)		G11 T12 G13 F14 K16 G156 D157 G158 G182 R210 K213 E214 G301 G302 M305 Y306 R347
Binding residue
(residue number reindexed from 1)		G11 T12 G13 F14 K16 G156 D157 G158 G182 R210 K213 E214 G301 G302 M305 Y306 R347
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:8uxw, PDBe:8uxw, PDBj:8uxw
PDBsum8uxw
PubMed38448439
UniProtQ9UUJ1|ARP2_SCHPO Actin-related protein 2 (Gene Name=arp2)

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