Structure of PDB 3e8n Chain A

Receptor sequence
>3e8nA (length=291) Species: 9606 (Homo sapiens) [Search protein sequence]
MELKDDDFEKISELGAGNGGVVFKVSHKPSGLVMARKLIHLEIKPAIRNQ
IIRELQVLHECNSPYIVGFYGAFYSDGEISICMEHMDGGSLDQVLKKAGR
IPEQILGKVSIAVIKGLTYLREKHKIMHRDVKPSNILVNSRGEIKLCDFG
VSGQLIDSMANSVGTRSYMSPERLQGTHYSVQSDIWSMGLSLVEMAVGRY
PIPPPDAKELELMFPPMAIFELLDYIVNEPPPKLPSGVFSLEFQDFVNKC
LIKNPAERADLKQLMVHAFIKRSDAEEVDFAGWLCSTIGLN
3D structure
PDB3e8n RDEA119/BAY 869766: a potent, selective, allosteric inhibitor of MEK1/2 for the treatment of cancer.
ChainA
Resolution2.5 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 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 MG A N195 D208 N135 D148
BS02 ATP A N78 V82 A95 K97 M143 M146 S150 Q153 S194 L197 N18 V22 A35 K37 M83 M86 S90 Q93 S134 L137
BS03 VRA A G79 K97 I99 V127 I141 D208 F209 V211 S212 L215 M219 G19 K37 I39 V67 I81 D148 F149 V151 S152 L155 M159 MOAD: ic50=19nM
PDBbind-CN: -logKd/Ki=7.72,IC50=19nM
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:3e8n, PDBe:3e8n, PDBj:3e8n
PDBsum3e8n
PubMed19706763
UniProtQ02750|MP2K1_HUMAN Dual specificity mitogen-activated protein kinase kinase 1 (Gene Name=MAP2K1)

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