› 8yp4

X-ray diffraction
2.35Å resolution

Structure of MAP2K1 complexed with 5Z7-oxozeaenol

Released:
DOI: 10.2210/pdb8yp4/pdb
Model geometry
Fit model/data
PDB entry 8yp4 coloured by chain, front view.
PDB entry 8yp4 coloured by chain, side view.
PDB entry 8yp4 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Conserved gatekeeper methionine regulates the binding and access of kinase inhibitors to ATP sites of MAP2K1, 4, and 7: Clues for developing selective inhibitors.
Yumura S, Kitagawa D, Moritsugu K, Nakayama A, Shinada T, Sawa M, Kinoshita T
Bioorg Med Chem Lett 112 129914 (2024)
PMID: 39111728

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:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-169744 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dual specificity mitogen-activated protein kinase kinase 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 365 amino acids
Theoretical weight: 40.84 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q02750 (Residues: 33-386; Coverage: 90%)
Gene names: MAP2K1, MEK1, PRKMK1
Sequence domains: Protein kinase domain

Ligands and Environments

2 bound ligands:
Ligand WNT 2 x WNT
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SPRING-8 BEAMLINE BL44XU
Spacegroup: P21
Unit cell:
a: 47.364Å b: 128.947Å c: 65.689Å
α: 90° β: 94.86° γ: 90°
R-values:
R R work R free
0.21 0.206 0.284
Expression system: Escherichia coli BL21(DE3)

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