Structure of PDB 8uxw Chain A Binding Site BS01
Receptor Information
>8uxw Chain A (length=400) Species:
4896
(Schizosaccharomyces pombe) [
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ASFNVPIIMDNGTGYSKLGYAGNDAPSYVFPTVIATRSKRATEDLDFFIG
NDALKKASAGYSLDYPIRHGQIENWDHMERFWQQSLFKYLRCEPEDHYFL
LTEPPLNPPENRENTAEIMFESFNCAGLYIAVQAVLALAASWTSSKVTDR
SLTGTVVDSGDGVTHIIPVAEGYVIGSSIKTMPLAGRDVTYFVQSLLRDR
NEPDSSLKTAERIKEECCYVCPDIVKEFSRFDREPDRYLKYASESITGHS
TTIDVGFERFLAPEIFFNPEIASSDFLTPLPELVDNVVQSSPIDVRKGLY
KNIVLSGGSTLFKNFGNRLQRDLKRIVDERIHRSEMLSGAKSGGVDVNVI
SHKRQRNAVWFGGSLLAQTPEFGSYCHTKADYEEYGASIARRYQIFGNSL
Ligand information
Ligand ID
ADP
InChI
InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey
XTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04
O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
Formula
C10 H15 N5 O10 P2
Name
ADENOSINE-5'-DIPHOSPHATE
ChEMBL
CHEMBL14830
DrugBank
DB16833
ZINC
ZINC000012360703
PDB chain
8uxw Chain A Residue 901 [
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Receptor-Ligand Complex Structure
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PDB
8uxw
High resolution cryo-EM structures reveal how phosphate release from Arp3 weakens actin filament branches formed by the Arp2/3 complex
Resolution
2.7 Å
Binding residue
(original residue number in PDB)
G13 T14 G15 Y16 K18 G187 D188 G213 K241 E242 G334 G335 F339 R383
Binding residue
(residue number reindexed from 1)
G12 T13 G14 Y15 K17 G160 D161 G186 K214 E215 G307 G308 F312 R356
Annotation score
4
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
View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:8uxw
,
PDBe:8uxw
,
PDBj:8uxw
PDBsum
8uxw
PubMed
38448439
UniProt
P32390
|ARP3_SCHPO Actin-related protein 3 (Gene Name=act2)
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