Structure of PDB 4ark Chain A

Receptor sequence
>4arkA (length=291) Species: 9606 (Homo sapiens) [Search protein sequence]
MELKDDDFEKISELGAGNGGVVFKVSHKPSGLVMARKLIHLEIKPAIRNQ
IIRELQVLHECNSPYIVGFYGAFYSDGEISICMEHMDGGSLDQVLKKAGR
IPEQILGKVSIAVIKGLTYLREKHKIMHRDVKPSNILVNSRGEIKLCDFG
VSGQLIDSMANSFVGTRSYMSPERLQGTHYSVQSDIWSMGLSLVEMAVGR
YPIPPPDAKELELMFPMAIFELLDYIVNEPPPKLPSGVFSLEFQDFVNKC
LIKNPAERADLKQLMVHAFIKRSDAEEVDFAGWLCSTIGLN
3D structure
PDB4ark Optimization of Allosteric Mek Inhibitors - Part 1: Venturing Into Unexplored Sar Territories
ChainA
Resolution2.6 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) D130 K132 S134 N135 D148 D157 T166
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 ADP A G77 V82 A95 K97 M143 M146 S150 Q153 S194 L197 G17 V22 A35 K37 M83 M86 S90 Q93 S134 L137
BS02 MG A N195 D208 N135 D148
BS03 M3K A K97 V127 M143 D190 D208 F209 V211 L215 M219 K37 V67 M83 D130 D148 F149 V151 L155 M159 PDBbind-CN: -logKd/Ki=7.20,IC50=63nM
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:4ark, PDBe:4ark, PDBj:4ark
PDBsum4ark
PubMed23474388
UniProtQ02750|MP2K1_HUMAN Dual specificity mitogen-activated protein kinase kinase 1 (Gene Name=MAP2K1)

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