› 8y1y

X-ray diffraction
2.01Å resolution

Crystal structure of the Mcl-1 in complex with a long BH3 peptide of BAK

Released:
DOI: 10.2210/pdb8y1y/pdb
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PDB entry 8y1y coloured by chain, front view.
PDB entry 8y1y coloured by chain, side view.
PDB entry 8y1y coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Deciphering molecular specificity in MCL-1/BAK interaction and its implications for designing potent MCL-1 inhibitors.
Wei H, Wang H, Xiang S, Wang J, Qu L, Chen X, Guo M, Lu X, Chen Y
Cell Death Differ (2025)
PMID: 39901037

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-286663 (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: 157 amino acids
Theoretical weight: 17.92 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q07820 (Residues: 171-327; Coverage: 45%)
Gene names: BCL2L3, MCL1
Sequence domains: Apoptosis regulator proteins, Bcl-2 family
Bcl-2 homologous antagonist/killer Chain: B
Molecule details ›
Chain: B
Length: 21 amino acids
Theoretical weight: 2.38 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q16611 (Residues: 72-92; Coverage: 10%)
Gene names: BAK, BAK1, BCL2L7, CDN1

Ligands and Environments

1 bound ligand:
Ligand ZN 1 x ZN
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SSRF BEAMLINE BL02U1
Spacegroup: P212121
Unit cell:
a: 52.484Å b: 59.187Å c: 59.877Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.212 0.207 0.252
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

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