› 5w8f

X-ray diffraction
1.85Å resolution

Crystal structure of human Mcl-1 in complex with modified Bim BH3 peptide SAH-MS1-14

Released:
DOI: 10.2210/pdb5w8f/pdb
PDB entry 5w8f coloured by chain, front view.
PDB entry 5w8f coloured by chain, side view.
PDB entry 5w8f coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Iterative optimization yields Mcl-1-targeting stapled peptides with selective cytotoxicity to Mcl-1-dependent cancer cells.
Rezaei Araghi R, Bird GH, Ryan JA, Jenson JM, Godes M, Pritz JR, Grant RA, Letai A, Walensky LD, Keating AE
Proc Natl Acad Sci U S A 115 E886-E895 (2018)
PMID: 29339518

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-166255 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Induced myeloid leukemia cell differentiation protein Mcl-1 Chain: A
Molecule details ›
Chain: A
Length: 150 amino acids
Theoretical weight: 17.15 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli K-12
UniProt:
  • Canonical: Q07820 (Residues: 172-320; Coverage: 43%)
Gene names: BCL2L3, MCL1
Sequence domains: Apoptosis regulator proteins, Bcl-2 family
Structure domains: Blc2-like
modified Bim BH3 peptide SAH-MS1-14 Chain: B
Molecule details ›
Chain: B
Length: 22 amino acids
Theoretical weight: 2.59 KDa
Source organism: Homo sapiens
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand ZN 2 x ZN
2 modified residues:
Ligand NLE 1 x NLE
Ligand MK8 2 x MK8

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-E
Spacegroup: P41212
Unit cell:
a: 46.85Å b: 46.85Å c: 167.44Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.244 0.242 0.289
Expression systems:
  • Escherichia coli K-12
  • Not provided

Quick links

Citations

13 review citations

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

2 mentions without citation

Stapled Peptides Inhibitors: A New Window for Target Drug Discovery.
Ali et al. (2019)
1 more