› 8htr

X-ray diffraction
1.6Å resolution

Crystal structure of Bcl2 in complex with S-9c

Released:
DOI: 10.2210/pdb8htr/pdb
Model geometry
Fit model/data
PDB entry 8htr coloured by chain, front view.
PDB entry 8htr coloured by chain, side view.
PDB entry 8htr coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
Guo Y, Xue H, Hu N, Liu Y, Sun H, Yu D, Qin L, Shi G, Wang F, Xin L, Sun W, Zhang F, Song X, Li S, Wei Q, Guo Y, Li Y, Liu X, Chen S, Zhang T, Wu Y, Su D, Zhu Y, Xu A, Xu H, Yang S, Zheng Z, Liu J, Yang X, Yuan X, Hong Y, Sun X, Guo Y, Zhou C, Liu X, Wang L, Wang Z
OpenAccess logo J Med Chem (2024)
PMID: 38695063

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-145305 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Apoptosis regulator Bcl-2 Chain: A
Molecule details ›
Chain: A
Length: 171 amino acids
Theoretical weight: 19.77 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P10415 (Residues: 1-207; Coverage: 70%)
Gene name: BCL2
Sequence domains:

Ligands and Environments

1 bound ligand:
Ligand MWH 1 x MWH
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SSRF BEAMLINE BL17U
Spacegroup: P21
Unit cell:
a: 31.902Å b: 40.597Å c: 53.808Å
α: 90° β: 103.66° γ: 90°
R-values:
R R work R free
0.199 0.195 0.233
Expression system: Escherichia coli

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