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MolNFT v1 · #126895 · protein

Crystal structure of BAZ2A bromodomain in complex with 4- chloropyridine derivative 3

5MGL · Bromodomain adjacent to zinc finger domain protein 2A: “Crystal structure of BAZ2A bromodomain in complex with 4- chloropyridine derivative 3”. X-ray diffraction, 1 ligand (7MU), 1 pocket (best druggability 0.44). MolNFT v1 #126895…

PDB
5MGL
Type
protein
Length
100 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bromodomain adjacent to zinc finger domain protein 2A
UniProt
Q9UIF9
Ligands
7MU
Pockets
1 · best druggability 0.44

Structure

x-ray diffraction · 1 distinct chain · 66% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABromodomain adjacent to zinc finger domain protein 2Aprotein10066% helix, 0% strandQ9UIF9

Ligands and binding sites

  • 7MU · 4-chloranyl-~{N}-methyl-pyridine-2-carboxamide · 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
1730.440.81187MU

Compared structures

  • 5MGL · Crystal Structure of BAZ2A bromodomain in complex with 4-chloropyridine derivative 3 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9UIF9 · 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 0.98

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