› 6i99

X-ray diffraction
2Å resolution

Bone Marrow Tyrosine Kinase in Chromosome X in complex with a newly designed covalent inhibitor JS24

Released:
DOI: 10.2210/pdb6i99/pdb
PDB entry 6i99 coloured by chain, front view.
PDB entry 6i99 coloured by chain, side view.
PDB entry 6i99 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural and biophysical insights into the mode of covalent binding of rationally designed potent BMX inhibitors
Seixas JD, Sousa BB, Marques MC, Guerreiro A, Traquete R, Rodrigues T, Albuquerque IS, Sousa MFQ, Lemos AR, Sousa PMF, Bandeiras TM, Wu D, Doyle SK, Robinson CV, Koehler AN, Corzana F, Matias PM, Bernardes GJL
Chem. Biol. (2020)

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-156424 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cytoplasmic tyrosine-protein kinase BMX Chains: A, B
Molecule details ›
Chains: A, B
Length: 278 amino acids
Theoretical weight: 32.56 KDa
Source organism: Homo sapiens
Expression system: Baculovirus expression vector pFastBac1-HM
UniProt:
  • Canonical: P51813 (Residues: 411-675; Coverage: 39%)
Gene name: BMX
Sequence domains: Protein tyrosine and serine/threonine kinase

Ligands and Environments

1 bound ligand:
Ligand H88 2 x H88
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID30B
Spacegroup: P21
Unit cell:
a: 66.714Å b: 63.29Å c: 74.962Å
α: 90° β: 104.55° γ: 90°
R-values:
R R work R free
0.234 0.232 0.259
Expression system: Baculovirus expression vector pFastBac1-HM

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