› 7jgv

X-ray diffraction
2.05Å resolution

CRYSTAL STRUCTURE OF BCL-XL IN COMPLEX WITH COMPOUND 1620116, CRYSTAL FORM 2

Released:
DOI: 10.2210/pdb7jgv/pdb
PDB entry 7jgv coloured by chain, front view.
PDB entry 7jgv coloured by chain, side view.
PDB entry 7jgv coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Optimization of Benzothiazole and Thiazole Hydrazones as Inhibitors of Schistosome BCL-2.
Nguyen W, Lee EF, Evangelista M, Lee M, Harris TJ, Colman PM, Smith NA, Williams LB, Jarman KE, Lowes KN, Haeberli C, Keiser J, Smith BJ, Fairlie WD, Sleebs BE
ACS Infect Dis 7 1143-1163 (2021)
PMID: 33523649

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-170525 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bcl-2-like protein 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 158 amino acids
Theoretical weight: 17.92 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q07817 (Residues: 1-209; Coverage: 66%)
Gene names: BCL2L, BCL2L1, BCLX
Sequence domains:

Ligands and Environments

1 bound ligand:
Ligand V9S 2 x V9S
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: P212121
Unit cell:
a: 40.324Å b: 56.256Å c: 117.756Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.192 0.189 0.246
Expression system: Escherichia coli BL21(DE3)

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Citations

1 review citation

Seeking heterocyclic scaffolds as antivirals against dengue virus.
De et al. (2022)
1 other article