› 5mjb

X-ray diffraction
2.23Å resolution

Kinase domain of human EphB1, G703C mutant, covalently bound to a quinazoline-based inhibitor

Released:
DOI: 10.2210/pdb5mjb/pdb
PDB entry 5mjb coloured by chain, front view.
PDB entry 5mjb coloured by chain, side view.
PDB entry 5mjb coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A Chemical-Genetic Approach to Generate Selective Covalent Inhibitors of Protein Kinases.
Kung A, Schimpl M, Ekanayake A, Chen YC, Overman R, Zhang C
ACS Chem Biol 12 1499-1503 (2017)
PMID: 28459525

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-157092 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Ephrin type-B receptor 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 305 amino acids
Theoretical weight: 34.9 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P54762 (Residues: 602-896; Coverage: 31%)
Gene names: ELK, EPHB1, EPHT2, HEK6, NET
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand 7O3 2 x 7O3
Ligand SO4 5 x SO4
1 modified residue:
Ligand PTR 4 x PTR

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I02
Spacegroup: P3121
Unit cell:
a: 102.2Å b: 102.2Å c: 157.55Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.199 0.198 0.214
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

Optogenetically controlled protein kinases for regulation of cellular signaling.
Leopold et al. (2018)
1 more