› 4gg7

X-ray diffraction
2.27Å resolution

Crystal structure of cMET in complex with novel inhibitor

Released:
DOI: 10.2210/pdb4gg7/pdb
PDB entry 4gg7 coloured by chain, front view.
PDB entry 4gg7 coloured by chain, side view.
PDB entry 4gg7 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Multisubstituted quinoxalines and pyrido[2,3-d]pyrimidines: synthesis and SAR study as tyrosine kinase c-Met inhibitors.
Wu K, Ai J, Liu Q, Chen T, Zhao A, Peng X, Wang Y, Ji Y, Yao Q, Xu Y, Geng M, Zhang A
Bioorg Med Chem Lett 22 6368-72 (2012)
PMID: 22985853

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-530690 (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 0J8 1 x 0J8
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U
Spacegroup: P41212
Unit cell:
a: 65.867Å b: 65.867Å c: 187.176Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.21 0.204 0.262
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

Quinoxaline-Based Scaffolds Targeting Tyrosine Kinases and Their Potential Anticancer Activity.
El Newahie et al. (2016)
2 more

3 mentions without citation

Data driven polypharmacological drug design for lung cancer: analyses for targeting ALK, MET, and EGFR.
Narayanan et al. (2017)
2 more