Structure of PDB 6hk6 Chain D Binding Site BS01

Receptor Information
>6hk6 Chain D (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
Global viewLocal viewStructure summary

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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)		H200 R276
Binding residue
(residue number reindexed from 1)		H189 R265
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
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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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