Structure of PDB 8vsu Chain B Binding Site BS01

Receptor Information
>8vsu Chain B (length=306) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSFLPEGGCYELLTVIGKGFEDLMTVNLARYKPTGEYVTVRRINLEACSN
EMVTFLQGELHVSKLFNHPNIVPYRATFIADNELWVVTSFMAYGSAKDLI
CTHFMDGMNELAIAYILQGVLKALDYIHHMGYVHRSVKASHILISVDGKV
YLSGLRSNLSMISHGQRQRVVHDFPKYSVKVLPWLSPEVLQQNLQGYDAK
SDIYSVGITACELANGHVPFKDMPATQMLLEKLNGTVPCLLDTSTIHPYH
RTFSPHFHHFVEQCLQRNPDARPSASTLLNHSFFKQIKRRASEALPELLR
PVTPIT
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 chain8vsu Chain B Residue 2001 [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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PDB8vsu High-resolution single-particle imaging at 100-200 keV with the Gatan Alpine direct electron detector.
Resolution2.86 Å
Binding residue
(original residue number in PDB)		G78 F79 M83 T98 R100 M150 D157 H200 L202 R215
Binding residue
(residue number reindexed from 1)		G19 F20 M24 T39 R41 M91 D98 H141 L143 R156
Annotation score4
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0019900 kinase binding
GO:0030295 protein kinase activator activity
GO:0043539 protein serine/threonine kinase activator activity
Biological Process
GO:0006468 protein phosphorylation
GO:0006611 protein export from nucleus
GO:0032147 activation of protein kinase activity
GO:0070314 G1 to G0 transition
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0140535 intracellular protein-containing complex
GO:1902554 serine/threonine protein kinase complex

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8vsu, PDBe:8vsu, PDBj:8vsu
PDBsum8vsu
PubMed38944401
UniProtQ7RTN6|STRAA_HUMAN STE20-related kinase adapter protein alpha (Gene Name=STRADA)

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