Structure of PDB 6cqd Chain A Binding Site BS02

Receptor Information
>6cqd Chain A (length=289) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVVDPDIFNRDPRDHYDLLQRLGGGTYGEVFKARDKVSGDLVALKMVDDD
VSTLQKEILILKTCRHANIVAYHGSYLWLQKLWICMEFCGAGSLQDIYQV
TGSLSELQISYVCREVLQGLAYLHSQKKIHRDIKGANILINDAGEVRLAD
FGISAQIGAELARRLEFIGTPYWMAPEVAAVALKGGYNELCDIWSLGITA
IELAELQPPLFDVHPLRVLFLMTKSGYQPPRLKEKGKWSAAFHNFIKVTL
TKSPKKRPSATKMLSHQLVSQPGLNRGLILDLLDKLKNG
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain6cqd Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6cqd Hematopoietic Progenitor Kinase-1 Structure in a Domain-Swapped Dimer.
Resolution2.12 Å
Binding residue
(original residue number in PDB)		N142 D155
Binding residue
(residue number reindexed from 1)		N137 D150
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D137 K139 A141 N142 D155 A164 T175
Catalytic site (residue number reindexed from 1) D132 K134 A136 N137 D150 A159 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:6cqd, PDBe:6cqd, PDBj:6cqd
PDBsum6cqd
PubMed30503777
UniProtQ92918|M4K1_HUMAN Mitogen-activated protein kinase kinase kinase kinase 1 (Gene Name=MAP4K1)

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