Structure of PDB 3os3 Chain A

Receptor sequence
>3os3A (length=272) Species: 9606 (Homo sapiens) [Search protein sequence]
ELKDDDFEKISELGAGNGGVVFKVSHKPSGLVMARKLIHLEIKPAIRNQI
IRELQVLHECNSPYIVGFYGAFYSDGEISICMEHMDGGSLDQVLKKAGRI
PEQILGKVSIAVIKGLTYLREKHKIMHRDVKPSNILVNSRGEIKLCDFGV
SGQLIDSMANSFVGTRSYMSPERLQGTHYSVQSDIWSMGLSLVEMAVGRY
PIPMAIFELLDYIVNEPPPKLPVFSLEFQDFVNKCLIKNPAERADLKQLM
VHAFIKRSDAEEVDFAGWLCST
3D structure
PDB3os3 Design and synthesis of novel allosteric MEK inhibitor CH4987655 as an orally available anticancer agent.
ChainA
Resolution2.8 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) D129 K131 S133 N134 D147 D156 T165
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 ATP A L74 G75 A76 G77 V82 A95 K97 M143 M146 S150 Q153 S194 L197 L13 G14 A15 G16 V21 A34 K36 M82 M85 S89 Q92 S133 L136
BS02 3OS A G80 K97 L118 I141 R189 D208 F209 V211 L215 I216 M219 G19 K36 L57 I80 R128 D147 F148 V150 L154 I155 M158 PDBbind-CN: -logKd/Ki=6.63,IC50=235nM
BS03 MG A N195 D208 N134 D147
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:3os3, PDBe:3os3, PDBj:3os3
PDBsum3os3
PubMed21316218
UniProtQ02750|MP2K1_HUMAN Dual specificity mitogen-activated protein kinase kinase 1 (Gene Name=MAP2K1)

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