Structure of PDB 6hk6 Chain C Binding Site BS01

Receptor Information
>6hk6 Chain C (length=290) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GKVNVAKLRYMSRDDFRVLTAVEMGMKNHEIVPGSLIASIASLKHGGCNK
VLRELVKHKLIAWERTKTVQGYRLTNAGYDYLALKTLSSRQVVESVGNQM
GVGKESDIYIVANEEGQQFALKLHRLGRTSFRNLHNVSWLYLSRLSAMKE
FAYMKALYERKFPVPKPIDYNRHAVVMELINGYPLCQIHHVEDPASVYDE
AMELIVKLANHGLIHGDFNEFNLILDESDHITMIDFPQMVSTSHPNAEWY
FDRDVKCIKDFFMKRFSYESELFPTFKDIRREDTLDVEVS
Ligand information
Ligand IDG8H
InChIInChI=1S/C17H14N2O/c20-17(19-16-7-3-4-10-18-16)12-13-8-9-14-5-1-2-6-15(14)11-13/h1-11H,12H2,(H,18,19,20)
InChIKeyKXZCFXKLOSDNKK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O=C(Cc1ccc2ccccc2c1)Nc3ccccn3
OpenEye OEToolkits 2.0.6c1ccc2cc(ccc2c1)CC(=O)Nc3ccccn3
FormulaC17 H14 N2 O
Name2-naphthalen-2-yl-~{N}-pyridin-2-yl-ethanamide
ChEMBL
DrugBank
ZINCZINC000009321981
PDB chain6hk6 Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6hk6 Crystal structure of human RIOK2 bound to a specific inhibitor.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		M101 A121 I191 G193 I235 I245
Binding residue
(residue number reindexed from 1)		M100 A120 I180 G182 I224 I234
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004674 protein serine/threonine 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:6hk6, PDBe:6hk6, PDBj:6hk6
PDBsum6hk6
PubMed30991936
UniProtQ9BVS4|RIOK2_HUMAN Serine/threonine-protein kinase RIO2 (Gene Name=RIOK2)

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