Structure of PDB 2uv2 Chain A Binding Site BS01

Receptor Information
>2uv2 Chain A (length=286) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YEHVTRDLNPEDFWEIIGELGDFGKVYKAQNKETSVLAAAKVIDTKSEEE
LEDYMVEIDILASCDHPNIVKLLDAFYYENNLWILIEFCAGGAVDAVMLE
LERPLTESQIQVVCKQTLDALNYLHDNKIIHRDLKAGNILFTLDGDIKLA
DFGVSAKNTRTIQRRDSFIGTPYWMAPEVVMCETSKDRPYDYKADVWSLG
ITLIEMAEIEPPHHELNPMRVLLKIAKSEPPTLAQPSRWSSNFKDFLKKC
LEKNVDARWTTSQLLQHPFVTVDSNKPIRELIAEAK
Ligand information
Ligand IDGVD
InChIInChI=1S/C22H19N7/c23-12-11-14-5-9-16(10-6-14)24-22-25-18-4-2-1-3-17(18)21(27-22)26-20-13-19(28-29-20)15-7-8-15/h1-6,9-10,13-15H,7-8,11H2,(H2,25,26,27,28,29)/b24-16-/t14-/m0/s1
InChIKeyAWMNWCNUTIFHRJ-SZLGDNHQSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(nc(n2)N=C3C=CC(C=C3)CC#N)Nc4cc([nH]n4)C5CC5
CACTVS 3.341N#CCC1C=CC(C=C1)=Nc2nc(Nc3cc([nH]n3)C4CC4)c5ccccc5n2
ACDLabs 10.04N#CCC5C=C\C(=N/c2nc1c(cccc1)c(n2)Nc3nnc(c3)C4CC4)C=C5
FormulaC22 H19 N7
Name[4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIEN-1-YL]ACETONITRILE
ChEMBL
DrugBank
ZINC
PDB chain2uv2 Chain A Residue 1316 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2uv2 Activation Segment Dimerization: A Mechanism for Kinase Autophosphorylation of Non-Consensus Sites.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		L40 A61 F110 C111 G114 L162
Binding residue
(residue number reindexed from 1)		L20 A39 F88 C89 G92 L140
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D155 K157 G159 N160 D173 R182 T193
Catalytic site (residue number reindexed from 1) D133 K135 G137 N138 D151 R160 T171
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2uv2, PDBe:2uv2, PDBj:2uv2
PDBsum2uv2
PubMed18239682
UniProtQ9H2G2|SLK_HUMAN STE20-like serine/threonine-protein kinase (Gene Name=SLK)

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