› 4xyf

X-ray diffraction
1.85Å resolution

Crystal structure of c-Met in complex with (S)-5-(8-fluoro-3-(1-(3-(2-methoxyethoxy)quinolin-6-yl)ethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-methylisoxazole

Released:
DOI: 10.2210/pdb4xyf/pdb
PDB entry 4xyf coloured by chain, front view.
PDB entry 4xyf coloured by chain, side view.
PDB entry 4xyf coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of potent and selective 8-fluorotriazolopyridine c-Met inhibitors.
Peterson EA, Teffera Y, Albrecht BK, Bauer D, Bellon SF, Boezio A, Boezio C, Broome MA, Choquette D, Copeland KW, Dussault I, Lewis R, Lin MH, Lohman J, Liu J, Potashman M, Rex K, Shimanovich R, Whittington DA, Vaida KR, Harmange JC
J Med Chem 58 2417-30 (2015)
PMID: 25699405

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: 309 amino acids
Theoretical weight: 35.22 KDa
Source organism: Homo sapiens
Expression system: Trichoplusia ni
UniProt:
  • Canonical: P08581 (Residues: 1048-1351; Coverage: 22%)
Gene name: MET
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 44X 1 x 44X
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E SUPERBRIGHT
Spacegroup: P212121
Unit cell:
a: 41.893Å b: 43.406Å c: 157.978Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.188 0.186 0.236
Expression system: Trichoplusia ni

Quick links

Citations

2 review citations

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

9 mentions without citation

Rutin as A Novel c-Met Inhibitory Lead for The Control of Triple Negative Breast Malignancies.
Elsayed et al. (2017)
8 more