Structure of PDB 8p94 Chain A Binding Site BS01

Receptor Information
>8p94 Chain A (length=414) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRLPACVVDCGTGYTKLGYAGNTEPQFIIPSCIAIKESAKVGDQAQRRVM
KGVDDLDFFIGDEAIEKPTYATKWPIRHGIVEDWDLMERFMEQVIFKYLR
AEPEDHYFLLTEPPLNTPENREYTAEIMFESFNVPGLYIAVQAVLALAAS
WTSRQVGERTLTGTVIDSGDGVTHVIPVAEGYVIGSCIKHIPIAGRDITY
FIQQLLRDREVGIPPEQSLETAKAVKERYSYVCPDLVKEFNKYDTDGSKW
IKQYTGINAISKKEFSIDVGYERFLGPEIFFHPEFANPDFTQPISEVVDE
VIQNCPIDVRRPLYKNIVLSGGSTMFRDFGRRLQRDLKRTVDARLKLSEE
LSGGRLKPKPIDVQVITHHMQRYAVWFGGSMLASTPEFYQVCHTKKDYEE
IGPSICRHNPVFGV
Ligand information
Ligand IDADP
InChIInChI=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
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(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 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain8p94 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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PDB8p94 Molecular visualization of how cortactin stabilizes Arp2/3-complex nucleated actin branches
Resolution3.3 Å
Binding residue
(original residue number in PDB)		T14 G15 Y16 K18 G171 D172 K225 K228 E229 G324 M327 F328 R374
Binding residue
(residue number reindexed from 1)		T12 G13 Y14 K16 G169 D170 K223 K226 E227 G322 M325 F326 R372
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003779 actin binding
GO:0005200 structural constituent of cytoskeleton
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0051015 actin filament binding
Biological Process
GO:0007163 establishment or maintenance of cell polarity
GO:0008356 asymmetric cell division
GO:0010592 positive regulation of lamellipodium assembly
GO:0016344 meiotic chromosome movement towards spindle pole
GO:0030030 cell projection organization
GO:0033206 meiotic cytokinesis
GO:0034314 Arp2/3 complex-mediated actin nucleation
GO:0045944 positive regulation of transcription by RNA polymerase II
GO:0051321 meiotic cell cycle
GO:0051653 spindle localization
GO:0060271 cilium assembly
GO:0070358 actin polymerization-dependent cell motility
GO:0071346 cellular response to type II interferon
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005856 cytoskeleton
GO:0005885 Arp2/3 protein complex
GO:0005903 brush border
GO:0005911 cell-cell junction
GO:0005925 focal adhesion
GO:0015629 actin cytoskeleton
GO:0016020 membrane
GO:0030027 lamellipodium
GO:0035861 site of double-strand break
GO:0042995 cell projection
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8p94, PDBe:8p94, PDBj:8p94
PDBsum8p94
PubMed38267598
UniProtP61158|ARP3_HUMAN Actin-related protein 3 (Gene Name=ACTR3)

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