Structure of PDB 3mbl Chain A

Receptor sequence
>3mblA (length=290) Species: 9606 (Homo sapiens) [Search protein sequence]
MELKDDDFEKISELGAGNGGVVFKVSHKPSGLVMARKLIHLEIKPAIRNQ
IIRELQVLHECNSPYIVGFYGAFYSDGEISICMEHMDGGSLDQVLKKAGR
IPEQILGKVSIAVIKGLTYLREKHKIMHRDVKPSNILVNSRGEIKLCDFG
VSGQLIDSMANSFVGTRSYMSPERLQGTHYSVQSDIWSMGLSLVEMAVGR
YPIPPPDAKELELMFPMAIFELLDYIVNEPPPKLPSGVFSLEFQDFVNKC
LIKNPAERADLKQLMVHAFIKRSDAEEVDFAGWLCSTIGL
3D structure
PDB3mbl Structure-based design and synthesis of pyrrole derivatives as MEK inhibitors.
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 G75 A76 G77 A95 K97 M143 M146 S150 Q153 S194 L197 G15 A16 G17 A35 K37 M83 M86 S90 Q93 S134 L137
BS02 MG A N195 D208 N135 D148
BS03 LSG A N78 K97 V127 I141 M143 D208 F209 G210 V211 S212 L215 I216 N18 K37 V67 I81 M83 D148 F149 G150 V151 S152 L155 I156 PDBbind-CN: -logKd/Ki=7.74,IC50=0.018uM
BindingDB: IC50=18nM
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:3mbl, PDBe:3mbl, PDBj:3mbl
PDBsum3mbl
PubMed20621728
UniProtQ02750|MP2K1_HUMAN Dual specificity mitogen-activated protein kinase kinase 1 (Gene Name=MAP2K1)

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