Structure of PDB 4u42 Chain B Binding Site BS02

Receptor Information
>4u42 Chain B (length=265) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLRDPAGIFELVEVVGNGTYGQVYKGRHVKTGQLAAIKVMDVTKYSHHRN
IATYYGAFIKKSPPDQLWLVMEFCGAGSITDLVKNTKGNTLKEDWIAYIS
REILRGLAHLHIHHVIHRDIKGQNVLLTENAEVKLVDFGVNTFIGTPYWM
APEVIACDENPDATYDYRSDLWSCGITAIEMAEGAPPLCDMHPMRALFLI
PRNPPPRLKSKKWSKKFFSFIEGCLVKNYMQRPSTEQLLKHPFIRDQPNE
RQVRIQLKDHIDRTR
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 chain4u42 Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4u42 Structural Plasticity and Kinase Activation in a Cohort of MAP4K4 Structures
Resolution2.504 Å
Binding residue
(original residue number in PDB)		S77 H78 H79 I82 T84
Binding residue
(residue number reindexed from 1)		S46 H47 H48 I51 T53
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D153 K155 Q157 N158 D171 T191
Catalytic site (residue number reindexed from 1) D119 K121 Q123 N124 D137 T146
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:4u42, PDBe:4u42, PDBj:4u42
PDBsum4u42
PubMed
UniProtO95819|M4K4_HUMAN Mitogen-activated protein kinase kinase kinase kinase 4 (Gene Name=MAP4K4)

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