› 1s9j

X-ray diffraction
2.4Å resolution

X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP

Released:
DOI: 10.2210/pdb1s9j/pdb
PDB entry 1s9j coloured by chain, front view.
PDB entry 1s9j coloured by chain, side view.
PDB entry 1s9j coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structures of human MAP kinase kinase 1 (MEK1) and MEK2 describe novel noncompetitive kinase inhibition.
Ohren JF, Chen H, Pavlovsky A, Whitehead C, Zhang E, Kuffa P, Yan C, McConnell P, Spessard C, Banotai C, Mueller WT, Delaney A, Omer C, Sebolt-Leopold J, Dudley DT, Leung IK, Flamme C, Warmus J, Kaufman M, Barrett S, Tecle H, Hasemann CA
Nat Struct Mol Biol 11 1192-7 (2004)
PMID: 15543157

Function and Biology Details

Reaction catalysed: 
ATP + L-seryl/L-threonyl/L-tyrosyl-[protein] = ADP + O-phospho-L-seryl/O-phospho-L-threonyl/O-phospho-L-tyrosyl-[protein]
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-169745 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dual specificity mitogen-activated protein kinase kinase 1 Chain: A
Molecule details ›
Chain: A
Length: 341 amino acids
Theoretical weight: 37.93 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q02750 (Residues: 62-393; Coverage: 85%)
Gene names: MAP2K1, MEK1, PRKMK1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand MG 1 x MG
Ligand ATP 1 x ATP
Ligand BBM 1 x BBM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P62
Unit cell:
a: 81.591Å b: 81.591Å c: 129.213Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.246 0.245 0.269
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

94 review citations

Targeting the Raf-MEK-ERK mitogen-activated protein kinase cascade for the treatment of cancer.
Roberts et al. (2007)
93 more

49 mentions without citation

Exploration of type II binding mode: A privileged approach for kinase inhibitor focused drug discovery?
Zhao et al. (2014)
48 more