› 8an8

X-ray diffraction
2.39Å resolution

Crystal structure of wild-type c-MET bound by compound 7.

Released:
DOI: 10.2210/pdb8an8/pdb
PDB entry 8an8 coloured by chain, front view.
PDB entry 8an8 coloured by chain, side view.
PDB entry 8an8 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of a selective c-MET inhibitor with a novel binding mode.
Collie GW, Barlind L, Bazzaz S, Börjesson U, Dale IL, Disch JS, Habeshian S, Jetson R, Khurana P, Madin A, Michaelides IN, Peng L, Snijder A, Stubbs CJ
Bioorg Med Chem Lett 128948 (2022)
PMID: 35987508

Function and Biology Details

Reaction catalysed: 
ATP + a [protein]-L-tyrosine = ADP + a [protein]-L-tyrosine phosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-140186 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Hepatocyte growth factor receptor Chains: A, B
Molecule details ›
Chains: A, B
Length: 296 amino acids
Theoretical weight: 33.47 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P08581 (Residues: 1052-1346; Coverage: 22%)
Gene name: MET
Sequence domains: Protein tyrosine and serine/threonine kinase

Ligands and Environments

2 bound ligands:
Ligand SO4 5 x SO4
Ligand MDI 2 x MDI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P1
Unit cell:
a: 42.838Å b: 52.181Å c: 84.074Å
α: 74.26° β: 77.64° γ: 70.55°
R-values:
R R work R free
0.244 0.241 0.298
Expression system: Escherichia coli

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Citations

1 review citation

Screening Ultra-Large Encoded Compound Libraries Leads to Novel Protein-Ligand Interactions and High Selectivity.
Collie et al. (2024)
2 other articles