› 4jr3

X-ray diffraction
2.7Å resolution

Crystal structure of EGFR kinase domain in complex with compound 3g

Released:
DOI: 10.2210/pdb4jr3/pdb
PDB entry 4jr3 coloured by chain, front view.
PDB entry 4jr3 coloured by chain, side view.
PDB entry 4jr3 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Protein kinase inhibitor design by targeting the Asp-Phe-Gly (DFG) motif: the role of the DFG motif in the design of epidermal growth factor receptor inhibitors.
Peng YH, Shiao HY, Tu CH, Liu PM, Hsu JT, Amancha PK, Wu JS, Coumar MS, Chen CH, Wang SY, Lin WH, Sun HY, Chao YS, Lyu PC, Hsieh HP, Wu SY
J Med Chem 56 3889-903 (2013)
PMID: 23611691

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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132701 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Epidermal growth factor receptor Chain: A
Molecule details ›
Chain: A
Length: 328 amino acids
Theoretical weight: 37.4 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P00533 (Residues: 696-1021; Coverage: 28%)
Gene names: EGFR, ERBB, ERBB1, HER1
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand KJR 1 x KJR
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL12B2
Spacegroup: I23
Unit cell:
a: 145.69Å b: 145.69Å c: 145.69Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.215 0.213 0.248
Expression system: Spodoptera frugiperda

Quick links

Citations

5 review citations

Src protein-tyrosine kinase structure, mechanism, and small molecule inhibitors.
Roskoski R. (2015)
4 more

7 mentions without citation

Toward structure-based drug design against the epidermal growth factor receptor (EGFR).
Haddad et al. (2021)
6 more