Structure of PDB 6hvd Chain A Binding Site BS01

Receptor Information
>6hvd 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]
MKQYEHVTRDLNPEDFWEIIGELGDGAFGKVYKAQNKETSVLAAAKVIDT
KSEEELEDYMVEIDILASCDHPNIVKLLDAFYYENNLWILIEFCAGGAVD
AVMLELERPLTESQIQVVCKQTLDALNYLHDNKIIHRDLKAGNILFTLDG
DIKLADFGVSAKNTRSFIGTPYWMAPEVVMCETSKDRPYDYKADVWSLGI
TLIEMAEIEPPHHELNPMRVLLKIAKSEPPTLAQPSRWSSNFKDFLKKCL
EKNVDARWTTSQLLQHPFVTVDSNKPIRELIAEAKA
Ligand information
Ligand IDGUQ
InChIInChI=1S/C18H13N3O3S/c1-24-12-8-4-2-6-10(12)14-15(17(23)21-16(14)22)20-18-19-11-7-3-5-9-13(11)25-18/h2-9H,1H3,(H2,19,20,21,22,23)
InChIKeyDKODQPUAYQCESR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COc1ccccc1C2=C(Nc3sc4ccccc4n3)C(=O)NC2=O
OpenEye OEToolkits 2.0.6COc1ccccc1C2=C(C(=O)NC2=O)Nc3nc4ccccc4s3
FormulaC18 H13 N3 O3 S
Name3-(1,3-benzothiazol-2-ylamino)-4-(2-methoxyphenyl)pyrrole-2,5-dione
ChEMBLCHEMBL4871036
DrugBank
ZINC
PDB chain6hvd Chain A Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6hvd Human SLK bound to a maleimide inhibitor
Resolution1.63 Å
Binding residue
(original residue number in PDB)		L40 G41 D42 V48 A61 I108 F110 L162 D173
Binding residue
(residue number reindexed from 1)		L23 G24 D25 V31 A44 I91 F93 L145 D156
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) D138 K140 G142 N143 D156 R165 T170
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

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Molecular Function
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Biological Process
External links
PDB RCSB:6hvd, PDBe:6hvd, PDBj:6hvd
PDBsum6hvd
PubMed
UniProtQ9H2G2|SLK_HUMAN STE20-like serine/threonine-protein kinase (Gene Name=SLK)

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