Structure of PDB 3wig Chain A Binding Site BS02

Receptor Information
>3wig Chain A (length=278) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MELKDDDFEKISELGAGVVFKVSHKPSGLVMARKLIHLEIKPAIRNQIIR
ELQVLHECNSPYIVGFYGAFYSDGEISICMEHMDGGSLDQVLKKAGRIPE
QILGKVSIAVIKGLTYLREKHKIMHRDVKPSNILVNSRGEIKLCDFGVSG
QLIDSMANSFVGTRSYMSPERLQGTHYSVQSDIWSMGLSLVEMAVGRYPI
PPPPPMAIFELLDYIVNEPPPKLPSGVFSLEFQDFVNKCLIKNPAERADL
KQLMVHAFIKRSDAEEVDFAGWLCSTIG
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 chain3wig Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3wig Disruption of CRAF-Mediated MEK Activation Is Required for Effective MEK Inhibition in KRAS Mutant Tumors
Resolution2.7 Å
Binding residue
(original residue number in PDB)		N196 D209
Binding residue
(residue number reindexed from 1)		N132 D145
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D191 K193 S195 N196 D209 D218 T227
Catalytic site (residue number reindexed from 1) D127 K129 S131 N132 D145 D154 T163
Enzyme Commision number 2.7.12.2: mitogen-activated protein kinase 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:3wig, PDBe:3wig, PDBj:3wig
PDBsum3wig
PubMed24746704
UniProtQ02750|MP2K1_HUMAN Dual specificity mitogen-activated protein kinase kinase 1 (Gene Name=MAP2K1)

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