› 6u4a

X-ray diffraction
1.88Å resolution

BRD3-BD1 in complex with the cyclic peptide 3.1_3

Released:
DOI: 10.2210/pdb6u4a/pdb
PDB entry 6u4a coloured by chain, front view.
PDB entry 6u4a coloured by chain, side view.
PDB entry 6u4a 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-167550 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Bromodomain-containing protein 3 Chains: A, B
Molecule details ›
Chains: A, B
Length: 128 amino acids
Theoretical weight: 15.1 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q15059 (Residues: 25-147; Coverage: 17%)
Gene names: BRD3, KIAA0043, RING3L
Sequence domains: Bromodomain
cyclic peptide 3.1_3 Chains: C, D
Molecule details ›
Chains: C, D
Length: 13 amino acids
Theoretical weight: 1.47 KDa
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

2 bound ligands:
Ligand SO4 2 x SO4
Ligand GOL 3 x GOL
1 modified residue:
Ligand ALY 4 x ALY

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: P212121
Unit cell:
a: 48.825Å b: 64.419Å c: 87.648Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.165 0.164 0.188
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

1 review citation

A Strategy Utilizing Protein-Protein Interaction Hubs for the Treatment of Cancer Diseases.
Carels et al. (2023)
9 other articles

2 mentions without citation

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