› 4hw4

X-ray diffraction
1.53Å resolution

Discovery of potent Mcl-1 inhibitors using fragment-based methods and structure-based design

Released:
DOI: 10.2210/pdb4hw4/pdb
PDB entry 4hw4 coloured by chain, front view.
PDB entry 4hw4 coloured by chain, side view.
PDB entry 4hw4 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design.
Friberg A, Vigil D, Zhao B, Daniels RN, Burke JP, Garcia-Barrantes PM, Camper D, Chauder BA, Lee T, Olejniczak ET, Fesik SW
J Med Chem 56 15-30 (2013)
PMID: 23244564

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-164558 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Induced myeloid leukemia cell differentiation protein Mcl-1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 157 amino acids
Theoretical weight: 17.85 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q07820 (Residues: 172-327; Coverage: 45%)
Gene names: BCL2L3, MCL1
Sequence domains: Apoptosis regulator proteins, Bcl-2 family
Structure domains: Blc2-like
Mcl-1 BH3 peptide Chains: C, D
Molecule details ›
Chains: C, D
Length: 18 amino acids
Theoretical weight: 1.85 KDa
Source organism: Homo sapiens
Expression system: Not provided

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: P21
Unit cell:
a: 50.07Å b: 48.353Å c: 68.183Å
α: 90° β: 93.83° γ: 90°
R-values:
R R work R free
0.14 0.137 0.184
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

34 review citations

Cancer drug resistance: an evolving paradigm.
Holohan et al. (2013)
33 more

7 mentions without citation

Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design.
Friberg et al. (2013)
6 more