› 5vcw

X-ray diffraction
2.25Å resolution

CRYSTAL STRUCTURE OF HUMAN MYT1 KINASE DOMAIN IN COMPLEX WITH Pelitinib

Released:
DOI: 10.2210/pdb5vcw/pdb
PDB entry 5vcw coloured by chain, front view.
PDB entry 5vcw coloured by chain, side view.
PDB entry 5vcw coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors.
Zhu JY, Cuellar RA, Berndt N, Lee HE, Olesen SH, Martin MP, Jensen JT, Georg GI, Schönbrunn E
J Med Chem 60 7863-7875 (2017)
PMID: 28792760

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-189237 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase Chains: A, B
Molecule details ›
Chains: A, B
Length: 311 amino acids
Theoretical weight: 34.5 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q99640 (Residues: 75-362; Coverage: 58%)
Gene names: MYT1, PKMYT1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand 93J 2 x 93J
Ligand SO4 5 x SO4
Ligand EDO 4 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P21
Unit cell:
a: 50.51Å b: 112.9Å c: 72.71Å
α: 90° β: 109.27° γ: 90°
R-values:
R R work R free
0.196 0.196 0.246
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

7 review citations

A WEE1 family business: regulation of mitosis, cancer progression, and therapeutic target.
Ghelli Luserna di Rorà et al. (2020)
6 more

2 mentions without citation

Regulation of G2/M Transition by Inhibition of WEE1 and PKMYT1 Kinases.
Schmidt et al. (2017)
1 more