› 8zcs

X-ray diffraction
2.79Å resolution

Crystal structure of the MBP-MCL1 complex with highly selective and potent Cyclic peptide inhibitor

Released:
DOI: 10.2210/pdb8zcs/pdb
Model geometry
Fit model/data
PDB entry 8zcs coloured by chain, front view.
PDB entry 8zcs coloured by chain, side view.
PDB entry 8zcs coloured by chain, top view.
Source organisms:
Primary publication:
De novo discovery of a molecular glue-like macrocyclic peptide that induces MCL1 homodimerization.
Li F, Zhang M, Liu C, Cheng J, Yang Y, Peng X, Li Z, Cai W, Yu H, Wu J, Guo Y, Geng H, Fa Y, Zhang Y, Wu D, Yin Y
Proc Natl Acad Sci U S A 122 e2426006122 (2025)
PMID: 40131955

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-290592 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (4 distinct):
Induced myeloid leukemia cell differentiation protein Mcl-1; Maltose/maltodextrin-binding periplasmic protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 522 amino acids
Theoretical weight: 57.64 KDa
Source organisms: Expression system: Escherichia coli
UniProt:
  • Canonical: P0AEX9 (Residues: 27-392; Coverage: 99%)
  • Canonical: Q07820 (Residues: 173-321; Coverage: 43%)
Gene names: BCL2L3, JW3994, MCL1, b4034, malE
Sequence domains:
TYR-LEU-LEU-PHE-TRP-ARG-ASP-GLU-LEU-ILE-LEU-LEU-CCJ-NH2 Chain: C
Molecule details ›
Chain: C
Length: 14 amino acids
Theoretical weight: 1.75 KDa
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

Carbohydrate polymer : NEW Components: GLC
Carbohydrate polymer
Carbohydrate polymer : NEW Components: GLC
Carbohydrate polymer
No bound ligands
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: NFPSS BEAMLINE BL19U1
Spacegroup: P21
Unit cell:
a: 57.854Å b: 75.709Å c: 121.222Å
α: 90° β: 95.77° γ: 90°
R-values:
R R work R free
0.209 0.204 0.296
Expression systems:
  • Escherichia coli
  • Not provided

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