PDBe 4qmv

X-ray diffraction
2.4Å resolution

MST3 IN COMPLEX WITH PF-03814735, N-{2-[(1S,4R)-6-{[4-(CYCLOBUTYLAMINO)-5-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]AMINO}-1,2,3,4-TETRAHYDRO-1,4-EPIMINONAPHTHALEN-9-YL]-2-OXOETHYL}ACETAMIDE

Released:

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase 24 36 kDa subunit Chain: A
Molecule details ›
Chain: A
Length: 310 amino acids
Theoretical weight: 35.02 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9Y6E0 (Residues: 10-315; Coverage: 68%)
  • Best match: Q9Y6E0-2 (Residues: 1-303)
Gene names: MST3, STK24, STK3
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

2 bound ligands:

1 modified residue:

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-BM
Spacegroup: C2
Unit cell:
a: 100.08Å b: 57.85Å c: 61.78Å
α: 90° β: 93.98° γ: 90°
R-values:
R R work R free
0.167 0.167 0.226
Expression system: Escherichia coli BL21(DE3)