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Crystal structure of BAZ2B bromodomain in complex with 3-amino-2- methylpyridine derivative 6

Analyse Crystal structure of BAZ2B bromodomain in complex with 3-amino-2… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5L99
Type
protein
Length
116 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bromodomain adjacent to zinc finger domain protein 2B
UniProt
Q9UIF8
Ligands
6S0
Pockets
1 · best druggability 0.47

Structure

x-ray diffraction · 1 distinct chain · 62% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABromodomain adjacent to zinc finger domain protein 2Bprotein11662% helix, 0% strandQ9UIF8

Ligands and binding sites

  • 6S0 · 2-methyl-~{N}-[(1~{S})-1-thieno[3,2-b]pyridin-6-ylethyl]pyridin-3-amine · ligand · 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
1740.470.82186S0

Compared structures

  • 5L99 · Crystal Structure of BAZ2B bromodomain in complex with 3-amino-2-methylpyridine… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9UIF8 · AlphaFold monomer V2.0 prediction for bromodomain adjacent to zinc finger domain protein… · a predicted model of the same protein · chain A against A, TM-score 0.92

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