› 8pav

X-ray diffraction
1.9Å resolution

Crystal structure of MST1 with a MAP4K1 SMOL inhibitor

Released:
DOI: 10.2210/pdb8pav/pdb
PDB entry 8pav coloured by chain, front view.
PDB entry 8pav coloured by chain, side view.
PDB entry 8pav coloured by chain, top view.
Source organism: Homo sapiens
Entry author: Friberg A

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)
Assembly name:
PDBe Complex ID:
PDB-CPX-171512 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase 4 37kDa subunit Chains: A, B
Molecule details ›
Chains: A, B
Length: 312 amino acids
Theoretical weight: 35.6 KDa
Source organism: Homo sapiens
Expression system: Trichoplusia ni
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 XOZ 2 x XOZ
Ligand GOL 2 x GOL
Ligand CXS 1 x CXS
1 modified residue:
Ligand TPO 4 x TPO

Experiments and Validation Details

Entry percentile scores
X-ray source: PETRA III, DESY BEAMLINE P11
Spacegroup: P212121
Unit cell:
a: 75.31Å b: 104.966Å c: 110.188Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.177 0.176 0.212
Expression system: Trichoplusia ni

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