Structure of PDB 6p5s Chain A Binding Site BS01

Receptor Information
>6p5s Chain A (length=333) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QLVQHEVLCSMTNTYEVLEFLGRGQVVKCWKRGTNEIVAIKILRQGQIEV
SILARLSTESADDYNFVRAYECFQHHTCLVFEMLEQNLYDFLKQNKFSPL
PLKYIRPVLQQVATALMKLKSLGLIHADLKPENIMLVDPSRQPYRVKVID
FGSASHVTYLQSRYYRAPEIILGLPFCEAIDMWSLGCVIAELFLGWPLYP
GASEYDQIRYISQTQGLPAEYLLSAGTKTTRFFNRDTDSPYPLWRLKTPD
DHEAETGIKSKEARKYIFNCLDDMAQVNMTTDLEGSDMLVEKADRREFID
LLKKMLTIDADKRITPIETLNHPFVTMTHLLDF
Ligand information
Ligand ID3NG
InChIInChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)
InChIKeyMUOKSQABCJCOPU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)c3cc2nc(c1ccncc1c2cc3)Nc4cccc(Cl)c4
OpenEye OEToolkits 1.7.0c1cc(cc(c1)Cl)Nc2c3ccncc3c4ccc(cc4n2)C(=O)O
CACTVS 3.370OC(=O)c1ccc2c(c1)nc(Nc3cccc(Cl)c3)c4ccncc24
FormulaC19 H12 Cl N3 O2
Name5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid
ChEMBLCHEMBL1230165
DrugBankDB15408
ZINCZINC000058638454
PDB chain6p5s Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6p5s The crystal structure of the protein kinase HIPK2 reveals a unique architecture of its CMGC-insert region.
Resolution2.194 Å
Binding residue
(original residue number in PDB)		G206 R207 K228 F277 M279 L280 M331 I345 D346
Binding residue
(residue number reindexed from 1)		G22 R23 K41 F81 M83 L84 M135 I149 D150
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D324 K326 N329 D346 S364
Catalytic site (residue number reindexed from 1) D128 K130 N133 D150 S162
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:6p5s, PDBe:6p5s, PDBj:6p5s
PDBsum6p5s
PubMed31341017
UniProtQ9H2X6|HIPK2_HUMAN Homeodomain-interacting protein kinase 2 (Gene Name=HIPK2)

[Back to BioLiP]