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Crystal structure of the fifth bromodomain of human protein polybromo- 1 in complex with tert-butyl 4-[3-amino-6-(2-HYDROXYPHENYL)PYRIDAZIN- 4-YL]PIPERAZINE-1-carboxylate

Analyse Crystal structure of the fifth bromodomain of human protein polybromo- 1 in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6ZS4
Type
protein
Length
110 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein polybromo-1
UniProt
Q86U86
Ligands
QP8
Pockets
1 · best druggability 0.49

Structure

x-ray diffraction · 1 distinct chain · 65% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein polybromo-1protein11065% helix, 2% strandQ86U86

Ligands and binding sites

  • QP8 · tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate · ligand · chains A
  • EDO · 1,2-ethanediol · additive · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1680.490.8416QP8

Compared structures

  • 6ZS4 · Crystal structure of the fifth bromodomain of human protein polybromo-1 in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q86U86 · AlphaFold monomer V2.0 prediction for protein polybromo-1 (Q86U86) · a predicted model of the same protein · chain A against A, TM-score 0.96

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