Structure of PDB 4an3 Chain A

Receptor sequence
>4an3A (length=280) Species: 9606 (Homo sapiens) [Search protein sequence]
MALGELKDDDFEKISELGAGNGGVVFKVSHKPSGLVMARKLIHLEIKPAI
RNQIIRELQVLHECNSPYIVGFYGAFYSDGEISICMEHMDGGSLDQVLKK
AGRIPEQILGKVSIAVIKGLTYLREKHKIMHRDVKPSNILVNSRGEIKLC
DFGVSGQLIDEMANEGTRSYMSPERLQGTHYSVQSDIWSMGLSLVEMAVG
RYPRPPMAIFELLDYIVNEPPPKLPSAVFSLEFQDFVNKCLIKNPAERAD
LKQLMVHAFIKRSDAEEVDFAGWLCSTIGL
3D structure
PDB4an3 Novel Carboxamide-Based Allosteric Mek Inhibitors: Discovery and Optimization Efforts Toward Xl518 (Gdc-0973)
ChainA
Resolution2.1 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D190 K192 S194 N195 D208 D217 T226
Catalytic site (residue number reindexed from 1) D133 K135 S137 N138 D151 D160 T167
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 MG A N195 D208 N138 D151
BS02 ATP A L74 G77 N78 A95 K97 M143 M146 S150 Q153 K192 S194 L197 L17 G20 N21 A38 K40 M86 M89 S93 Q96 K135 S137 L140
BS03 5Y0 A K97 V127 I141 D208 F209 V211 L215 K40 V70 I84 D151 F152 V154 L158 PDBbind-CN: -logKd/Ki=9.22,IC50=0.6nM
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:4an3, PDBe:4an3, PDBj:4an3
PDBsum4an3
PubMed24900486
UniProtQ02750|MP2K1_HUMAN Dual specificity mitogen-activated protein kinase kinase 1 (Gene Name=MAP2K1)

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