› 6umw

X-ray diffraction
1.98Å resolution

Crystal structure of hEphB1 bound with chlortetracycline

Released:
DOI: 10.2210/pdb6umw/pdb
PDB entry 6umw coloured by chain, front view.
PDB entry 6umw coloured by chain, side view.
PDB entry 6umw coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Identification of tetracycline combinations as EphB1 tyrosine kinase inhibitors for treatment of neuropathic pain.
Ahmed MS, Wang P, Nguyen NUN, Nakada Y, Menendez-Montes I, Ismail M, Bachoo R, Henkemeyer M, Sadek HA, Kandil ES
Proc Natl Acad Sci U S A 118 (2021)
PMID: 33627480

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 Chain: A
Molecule details ›
Chain: A
Length: 301 amino acids
Theoretical weight: 34.37 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P54762 (Residues: 602-896; Coverage: 31%)
Gene names: ELK, EPHB1, EPHT2, HEK6, NET
Sequence domains: Protein tyrosine and serine/threonine kinase

Ligands and Environments

1 bound ligand:
Ligand CTC 1 x CTC
1 modified residue:
Ligand PTR 1 x PTR

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P212121
Unit cell:
a: 32.932Å b: 91.09Å c: 96.995Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.184 0.182 0.221
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Drug Repurposing to Target Neuroinflammation and Sensory Neuron-Dependent Pain.
Sisignano et al. (2022)
1 more

2 mentions without citation

Hit Identification of a Novel Quinazoline Sulfonamide as a Promising EphB3 Inhibitor: Design, Virtual Combinatorial Library, Synthesis, Biological Evaluation, and Docking Simulation Studies.
Lee et al. (2021)
1 more