› 3eqc

X-ray diffraction
1.8Å resolution

X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a ternary complex with compound 1, ATP-GS AND MG2P

Released:
DOI: 10.2210/pdb3eqc/pdb
PDB entry 3eqc coloured by chain, front view.
PDB entry 3eqc coloured by chain, side view.
PDB entry 3eqc coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structures of MEK1 binary and ternary complexes with nucleotides and inhibitors.
Fischmann TO, Smith CK, Mayhood TW, Myers JE, Reichert P, Mannarino A, Carr D, Zhu H, Wong J, Yang RS, Le HV, Madison VS
Biochemistry 48 2661-74 (2009)
PMID: 19161339

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:
Sequence domains:

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-554272 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dual specificity mitogen-activated protein kinase kinase 1 Chain: A
Molecule details ›
Chain: A
Length: 360 amino acids
Theoretical weight: 40.11 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q02750 (Residues: 35-393; Coverage: 91%)
Gene names: MAP2K1, MEK1, PRKMK1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

5 bound ligands:
Ligand 3BM 1 x 3BM
Ligand AGS 1 x AGS
Ligand MG 1 x MG
Ligand CA 1 x CA
Ligand NA 1 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P6122
Unit cell:
a: 77.22Å b: 77.22Å c: 222.05Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.201 0.199 0.235
Expression system: Not provided

Quick links

Citations

30 review citations

MEK1 and MEK2 inhibitors and cancer therapy: the long and winding road.
Caunt et al. (2015)
29 more

19 mentions without citation

Ten things you should know about protein kinases: IUPHAR Review 14.
Fabbro et al. (2015)
18 more