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BRD4-BD1 in complex with the cyclic peptide 4.2_1

Analyse BRD4-BD1 in complex with the cyclic peptide 4.2_1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6ULV
Type
protein
Length
461 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
O60885
Ligands
ACE, IOD, NH2

Structure

x-ray diffraction · 5 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein108—O60885
B—protein105—O60885
C—protein109—O60885
D—protein111—O60885
E, G—protein14——

Ligands and binding sites

  • ACE · Acetyl group · ligand · 2 copies · chains A, E, G
  • IOD · Iodide ion · ion · 7 copies · chains A, B, C, G, D, E
  • NH2 · Amino group · ion · 2 copies · chains A, E, B, G
  • GOL · Glycerol · additive · 2 copies · chains C, D, E, G
  • B3P · 2-[3-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

  • 6ULV · BRD4-BD1 in complex with the cyclic peptide 4.2_1 · the same entry in another collection · chain G against G, TM-score 1.00
  • O60885 · AlphaFold monomer V2.0 prediction for bromodomain-containing protein 4 (O60885) · a predicted model of the same protein · chain A against A, TM-score 0.97

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