Structure of PDB 6cqd Chain B Binding Site BS01

Receptor Information
>6cqd Chain B (length=291) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VDPDIFNRDPRDHYDLLQRLGGGTYGEVFKARDKVSGDLVALKMVKMEPD
DDVSTLQKEILILKTCRHANIVAYHGSYLWLQKLWICMEFCGAGSLQDIY
QVTGSLSELQISYVCREVLQGLAYLHSQKKIHRDIKGANILINDAGEVRL
ADFGISAQIGAELARRLEFIGTPYWMAPEVAAVALKGGYNELCDIWSLGI
TAIELAELQPPLFDVHPLRVLFLMTKSGYQPPRLKEKGKWSAAFHNFIKV
TLTKSPKKRPSATKMLSHQLVSQPGLNRGLILDLLDKLKNG
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 B Residue 301 [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)		N139 D152
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) D134 K136 A138 N139 D152 A161 T172
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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