› 6u6f

X-ray diffraction
2.9Å resolution

The crystal structure of anti-apoptotic Mcl-1 protein in complex with 2, 5-substituted benzoic acid inhibitor 21

Released:
DOI: 10.2210/pdb6u6f/pdb
PDB entry 6u6f coloured by chain, front view.
PDB entry 6u6f coloured by chain, side view.
PDB entry 6u6f coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
Kump KJ, Miao L, Mady ASA, Ansari NH, Shrestha UK, Yang Y, Pal M, Liao C, Perdih A, Abulwerdi FA, Chinnaswamy K, Meagher JL, Carlson JM, Khanna M, Stuckey JA, Nikolovska-Coleska Z
J Med Chem 63 2489-2510 (2020)
PMID: 31971799

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-170534 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Induced myeloid leukemia cell differentiation protein Mcl-1 Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 156 amino acids
Theoretical weight: 17.84 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q07820 (Residues: 171-323; Coverage: 44%)
Gene names: BCL2L3, MCL1
Sequence domains: Apoptosis regulator proteins, Bcl-2 family

Ligands and Environments

1 bound ligand:
Ligand PZY 4 x PZY
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: P6122
Unit cell:
a: 68.45Å b: 68.45Å c: 363.65Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.24 0.238 0.279
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Targeting MCL-1 in cancer: current status and perspectives.
Wang et al. (2021)
2 more

1 mention without citation

Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
Kump et al. (2020)