› 5eob

X-ray diffraction
1.75Å resolution

Crystal structure of CMET in complex with novel inhibitor

Released:
DOI: 10.2210/pdb5eob/pdb
PDB entry 5eob coloured by chain, front view.
PDB entry 5eob coloured by chain, side view.
PDB entry 5eob coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of 6-(difluoro(6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl)quinoline as a highly potent and selective c-Met inhibitor.
Zhan Z, Peng X, Liu Q, Chen F, Ji Y, Yao S, Xi Y, Lin Y, Chen T, Xu Y, Ai J, Geng M, Duan W
Eur J Med Chem 116 239-251 (2016)
PMID: 27061987

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 Chain: A
Molecule details ›
Chain: A
Length: 319 amino acids
Theoretical weight: 36.03 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P08581 (Residues: 1038-1346; Coverage: 23%)
Gene name: MET
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 5QQ 1 x 5QQ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U
Spacegroup: P21
Unit cell:
a: 37.88Å b: 43.39Å c: 86.08Å
α: 90° β: 92.68° γ: 90°
R-values:
R R work R free
0.174 0.173 0.197
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

An insight on medicinal attributes of 1,2,4-triazoles.
Aggarwal et al. (2020)
4 other articles

2 mentions without citation

Best practices for constructing, preparing, and evaluating protein-ligand binding affinity benchmarks [Article v0.1].
Hahn et al. (2022)
1 more