Structure of PDB 3v01 Chain A

Receptor sequence
>3v01A (length=289) Species: 9606 (Homo sapiens) [Search protein sequence]
MELKDDDFEKISELGAGNGGVVFKVSHKPSGLVMARKLIHLEIKPAIRNQ
IIRELQVLHECNSPYIVGFYGAFYSDGEISICMEHMDGGSLDQVLKKAGR
IPEQILGKVSIAVIKGLTYLREKHKIMHRDVKPSNILVNSRGEIKLCDFG
VSGQLIDSMAVGTRSYMSPERLQGTHYSVQSDIWSMGLSLVEMAVGRYPI
PPPDAKELELMFPPMAIFELLDYIVNEPPPKLPSGVFSLEFQDFVNKCLI
KNPAERADLKQLMVHAFIKRSDAEEVDFAGWLCSTIGLN
3D structure
PDB3v01 Discovery of Novel Allosteric Mitogen-Activated Protein Kinase Kinase (MEK) 1,2 Inhibitors Possessing Bidentate Ser212 Interactions.
ChainA
Resolution2.705 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 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 3V0 A G77 N78 K97 V127 D208 F209 G210 V211 S212 L215 I216 G17 N18 K37 V67 D148 F149 G150 V151 S152 L155 I156 PDBbind-CN: -logKd/Ki=7.60,IC50=25nM
BindingDB: IC50=25nM,EC50=6.3nM
BS02 ATP A A76 G77 N78 V82 A95 K97 M143 M146 Q153 K192 S194 L197 A16 G17 N18 V22 A35 K37 M83 M86 Q93 K132 S134 L137
BS03 MG A N195 D208 N135 D148
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:3v01, PDBe:3v01, PDBj:3v01
PDBsum3v01
PubMed22506516
UniProtQ02750|MP2K1_HUMAN Dual specificity mitogen-activated protein kinase kinase 1 (Gene Name=MAP2K1)

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