Structure of PDB 3wig Chain A

Receptor sequence
>3wigA (length=278) Species: 9606 (Homo sapiens) [Search protein sequence]
MELKDDDFEKISELGAGVVFKVSHKPSGLVMARKLIHLEIKPAIRNQIIR
ELQVLHECNSPYIVGFYGAFYSDGEISICMEHMDGGSLDQVLKKAGRIPE
QILGKVSIAVIKGLTYLREKHKIMHRDVKPSNILVNSRGEIKLCDFGVSG
QLIDSMANSFVGTRSYMSPERLQGTHYSVQSDIWSMGLSLVEMAVGRYPI
PPPPPMAIFELLDYIVNEPPPKLPSGVFSLEFQDFVNKCLIKNPAERADL
KQLMVHAFIKRSDAEEVDFAGWLCSTIG
3D structure
PDB3wig Disruption of CRAF-Mediated MEK Activation Is Required for Effective MEK Inhibition in KRAS Mutant Tumors
ChainA
Resolution2.7 Å
3D
structure
Catalytic site residues are labeled in the structure
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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.
Interaction with ligand
Site
#
Ligand Ligand
chain
Binding residues on receptor
(original residue number in PDB)
Binding residues on receptor
(residue number reindexed from 1)
Binding affinity
BS01 ANP A L75 G76 A77 G78 A96 K98 M147 S151 Q154 K193 S195 L198 L14 G15 A16 G17 A32 K34 M83 S87 Q90 K129 S131 L134
BS02 MG A N196 D209 N132 D145
BS03 CHU A L119 V128 I142 M144 R190 D191 C208 D209 F210 G211 V212 L216 I217 M220 N222 L55 V64 I78 M80 R126 D127 C144 D145 F146 G147 V148 L152 I153 M156 N158 PDBbind-CN: -logKd/Ki=8.64,Kd=2.30nM
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: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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