› 6u8i

X-ray diffraction
2.5Å resolution

BRD4-BD2 in complex with the cyclic peptide 3.2_2

Released:
DOI: 10.2210/pdb6u8i/pdb
PDB entry 6u8i coloured by chain, front view.
PDB entry 6u8i coloured by chain, side view.
PDB entry 6u8i coloured by chain, top view.
Source organisms:
Primary publication:
Cyclic peptides can engage a single binding pocket through highly divergent modes.
Patel K, Walport LJ, Walshe JL, Solomon PD, Low JKK, Tran DH, Mouradian KS, Silva APG, Wilkinson-White L, Norman A, Franck C, Matthews JM, Guss JM, Payne RJ, Passioura T, Suga H, Mackay JP
Proc Natl Acad Sci U S A 117 26728-26738 (2020)
PMID: 33046654

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-130127 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Bromodomain-containing protein 4 Chain: A
Molecule details ›
Chain: A
Length: 123 amino acids
Theoretical weight: 14.19 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O60885 (Residues: 347-464; Coverage: 9%)
Gene names: BRD4, HUNK1
Sequence domains: Bromodomain
cyclic peptide 3.2_2 Chain: B
Molecule details ›
Chain: B
Length: 13 amino acids
Theoretical weight: 1.66 KDa
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand NH2 1 x NH2
1 modified residue:
Ligand ALY 1 x ALY

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Spacegroup: P4
Unit cell:
a: 69.775Å b: 69.775Å c: 32.15Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.192 0.189 0.24
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

2 review citations

Cyclisation strategies for stabilising peptides with irregular conformations.
Vu et al. (2021)
1 more

2 mentions without citation

Cyclic peptides can engage a single binding pocket through highly divergent modes.
Patel et al. (2020)
1 more