› 7xgf

X-ray diffraction
1.9Å resolution

Crystal structure of BCL-xL in complex with computationally designed inhibitor protein

Released:
DOI: 10.2210/pdb7xgf/pdb
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PDB entry 7xgf coloured by chain, front view.
PDB entry 7xgf coloured by chain, side view.
PDB entry 7xgf coloured by chain, top view.
Source organisms:
Primary publication:
Computational design of an apoptogenic protein that binds BCL-xL and MCL-1 simultaneously and potently.
Kim S, Park HS, Oh BH
OpenAccess logo Comput Struct Biotechnol J 20 3019-3029 (2022)
PMID: 35782728

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-169108 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
BCL-xL and MCL-1 dual inhibitor 2 Chains: A, D
Molecule details ›
Chains: A, D
Length: 164 amino acids
Theoretical weight: 18.61 KDa
Source organism: synthetic construct
Expression system: Escherichia coli BL21(DE3)
Bcl-2-like protein 1 Chains: B, C, E, F
Molecule details ›
Chains: B, C, E, F
Length: 172 amino acids
Theoretical weight: 19.64 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q07817 (Residues: 1-209; Coverage: 73%)
Gene names: BCL2L, BCL2L1, BCLX
Sequence domains:

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: PAL/PLS BEAMLINE 5C (4A)
Spacegroup: P1
Unit cell:
a: 60.93Å b: 69.05Å c: 79.99Å
α: 100.79° β: 110° γ: 108.67°
R-values:
R R work R free
0.173 0.172 0.206
Expression system: Escherichia coli BL21(DE3)

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Citations

2 mentions without citation

Computational design of an apoptogenic protein that binds BCL-xL and MCL-1 simultaneously and potently.
Kim et al. (2022)
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