7juz

X-ray diffraction
3.21Å resolution

Crystal Structure of KSR1:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor Selumetinib

Released:

Function and Biology Details

Reactions catalysed:
ATP + a protein = ADP + a phosphoprotein
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:
hetero dimer (preferred)
PDBe Complex ID:
PDB-CPX-151560 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Kinase suppressor of Ras 1 Chain: A
Molecule details ›
Chain: A
Length: 334 amino acids
Theoretical weight: 38.6 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q8IVT5 (Residues: 591-899; Coverage: 34%)
Gene names: KSR, KSR1
Sequence domains: Protein tyrosine and serine/threonine kinase
Dual specificity mitogen-activated protein kinase kinase 1 Chain: C
Molecule details ›
Chain: C
Length: 384 amino acids
Theoretical weight: 43.12 KDa
Source organism: Oryctolagus cuniculus
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P29678 (Residues: 35-393; Coverage: 91%)
Gene names: MAP2K1, MEK1, PRKMK1
Sequence domains: Protein kinase domain

Ligands and Environments

2 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.2.1
Spacegroup: P6122
Unit cell:
a: 136.4Å b: 136.4Å c: 216.6Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.255 0.254 0.272
Expression system: Spodoptera frugiperda