Structure of PDB 3mbl Chain A Binding Site BS02
Receptor Information
>3mbl Chain A (length=290) Species:
9606
(Homo sapiens) [
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MELKDDDFEKISELGAGNGGVVFKVSHKPSGLVMARKLIHLEIKPAIRNQ
IIRELQVLHECNSPYIVGFYGAFYSDGEISICMEHMDGGSLDQVLKKAGR
IPEQILGKVSIAVIKGLTYLREKHKIMHRDVKPSNILVNSRGEIKLCDFG
VSGQLIDSMANSFVGTRSYMSPERLQGTHYSVQSDIWSMGLSLVEMAVGR
YPIPPPDAKELELMFPMAIFELLDYIVNEPPPKLPSGVFSLEFQDFVNKC
LIKNPAERADLKQLMVHAFIKRSDAEEVDFAGWLCSTIGL
Ligand information
Ligand ID
MG
InChI
InChI=1S/Mg/q+2
InChIKey
JLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Mg+2]
CACTVS 3.341
[Mg++]
Formula
Mg
Name
MAGNESIUM ION
ChEMBL
DrugBank
DB01378
ZINC
PDB chain
3mbl Chain A Residue 536 [
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Receptor-Ligand Complex Structure
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PDB
3mbl
Structure-based design and synthesis of pyrrole derivatives as MEK inhibitors.
Resolution
2.6 Å
Binding residue
(original residue number in PDB)
N195 D208
Binding residue
(residue number reindexed from 1)
N135 D148
Annotation score
1
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.
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
PDBsum
3mbl
PubMed
20621728
UniProt
Q02750
|MP2K1_HUMAN Dual specificity mitogen-activated protein kinase kinase 1 (Gene Name=MAP2K1)
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