› 4qvx

X-ray diffraction
2.1Å resolution

Discovery of a Potent and Selective BCL-XL Inhibitor That Demonstrates Thrombocytopenia and Inhibits Tumor Growth in Vivo

Released:
DOI: 10.2210/pdb4qvx/pdb
PDB entry 4qvx coloured by chain, front view.
PDB entry 4qvx coloured by chain, side view.
PDB entry 4qvx coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of a Potent and Selective BCL-XL Inhibitor with in Vivo Activity.
Tao ZF, Hasvold L, Wang L, Wang X, Petros AM, Park CH, Boghaert ER, Catron ND, Chen J, Colman PM, Czabotar PE, Deshayes K, Fairbrother WJ, Flygare JA, Hymowitz SG, Jin S, Judge RA, Koehler MF, Kovar PJ, Lessene G, Mitten MJ, Ndubaku CO, Nimmer P, Purkey HE, Oleksijew A, Phillips DC, Sleebs BE, Smith BJ, Smith ML, Tahir SK, Watson KG, Xiao Y, Xue J, Zhang H, Zobel K, Rosenberg SH, Tse C, Leverson JD, Elmore SW, Souers AJ
ACS Med Chem Lett 5 1088-93 (2014)
PMID: 25313317

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assemblies composition:
homo dimer
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-170518 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bcl-2-like protein 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 167 amino acids
Theoretical weight: 18.69 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q07817 (Residues: 1-23, 83-209; Coverage: 64%)
Gene names: BCL2L, BCL2L1, BCLX
Sequence domains:
Structure domains: Blc2-like

Ligands and Environments

1 bound ligand:
Ligand 3CQ 2 x 3CQ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: C2221
Unit cell:
a: 73.107Å b: 90.955Å c: 83.736Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.194 0.191 0.257
Expression system: Escherichia coli

Quick links

Citations

53 review citations

Targeting apoptosis in cancer therapy.
Carneiro et al. (2020)
52 more

11 mentions without citation

Progress in targeting the BCL-2 family of proteins.
Garner et al. (2017)
10 more