› 6yat

X-ray diffraction
2.58Å resolution

Crystal structure of STK4 (MST1) in complex with compound 6

Released:
DOI: 10.2210/pdb6yat/pdb
PDB entry 6yat coloured by chain, front view.
PDB entry 6yat coloured by chain, side view.
PDB entry 6yat coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Inhibitors of the Hippo Pathway Kinases STK3/MST2 and STK4/MST1 Have Utility for the Treatment of Acute Myeloid Leukemia.
Bata N, Chaikuad A, Bakas NA, Limpert AS, Lambert LJ, Sheffler DJ, Berger LM, Liu G, Yuan C, Wang L, Peng Y, Dong J, Celeridad M, Layng F, Knapp S, Cosford NDP
J Med Chem 65 1352-1369 (2022)
PMID: 34807584

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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-555969 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase 4 37kDa subunit Chains: A, B
Molecule details ›
Chains: A, B
Length: 314 amino acids
Theoretical weight: 35.81 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q13043 (Residues: 1-311; Coverage: 64%)
Gene names: KRS2, MST1, STK4
Sequence domains: Protein kinase domain

Ligands and Environments

3 bound ligands:
Ligand 3FX 1 x 3FX
Ligand GOL 7 x GOL
Ligand OJ5 2 x OJ5
1 modified residue:
Ligand TPO 4 x TPO

Experiments and Validation Details

Entry percentile scores
X-ray source: PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Spacegroup: P41212
Unit cell:
a: 111.68Å b: 111.68Å c: 171.486Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.227 0.225 0.258
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

5 review citations

The Hippo signalling pathway and its implications in human health and diseases.
Fu et al. (2022)
4 more

4 mentions without citation

The structural basis of Cdc7-Dbf4 kinase dependent targeting and phosphorylation of the MCM2-7 double hexamer.
Saleh et al. (2022)
3 more