› 6u8g

X-ray diffraction
2.6Å resolution

BRD4-BD2 in complex with the cyclic peptide 3.1_2_AcK7toA

Released:
DOI: 10.2210/pdb6u8g/pdb
Model geometry
Fit model/data
PDB entry 6u8g coloured by chain, front view.
PDB entry 6u8g coloured by chain, side view.
PDB entry 6u8g 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
OpenAccess logo 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 trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-130149 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Bromodomain-containing protein 4 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 146 amino acids
Theoretical weight: 17.2 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O60885 (Residues: 42-168; Coverage: 9%)
Gene names: BRD4, HUNK1
Sequence domains: Bromodomain
cyclic peptide 3.1_2_AcK7toA Chains: E, F
Molecule details ›
Chains: E, F
Length: 16 amino acids
Theoretical weight: 1.82 KDa
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

No bound ligands
1 modified residue:
Ligand ALY 4 x ALY

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: P21
Unit cell:
a: 58.712Å b: 48.979Å c: 114.152Å
α: 90° β: 101.662° γ: 90°
R-values:
R R work R free
0.244 0.242 0.296
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

3 review citations

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

1 mention without citation

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

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