PDBe 4qmu

X-ray diffraction
1.55Å resolution

MST3 IN COMPLEX WITH JNJ-7706621, 4-({5-AMINO-1-[(2,6-DIFLUOROPHENYL)CARBONYL]-1H-1,2,4-TRIAZOL-3-YL}AMINO)BENZENESULFONAMIDE

Released:

Function and Biology Details

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

3 bound ligands:

1 modified residue:

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P21
Unit cell:
a: 47.688Å b: 54.811Å c: 60.518Å
α: 90° β: 111.78° γ: 90°
R-values:
R R work R free
0.178 0.178 0.206
Expression system: Escherichia coli BL21(DE3)