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Crystal structure of human BAZ2A phd zinc finger in complex with FR23

Analyse Crystal structure of human BAZ2A phd zinc finger in complex with FR23 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6FAP
Type
protein
Length
209 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bromodomain adjacent to zinc finger domain protein 2A
UniProt
Q9UIF9
Ligands
D3H, ZN, PO4
Pockets
3 · best druggability 0.55

Structure

x-ray diffraction · 3 distinct chains · 15% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, DBromodomain adjacent to zinc finger domain protein 2Aprotein5313% helix, 15% strandQ9UIF9
BBromodomain adjacent to zinc finger domain protein 2Aprotein5114% helix, 16% strandQ9UIF9
CBromodomain adjacent to zinc finger domain protein 2Aprotein5217% helix, 15% strandQ9UIF9

Ligands and binding sites

  • D3H · ~{N}-(4-aminophenyl)-2-azanyl-ethanamide · ligand · 2 copies · chains B, C
  • ZN · Zinc ion · metal · 8 copies · chains A, B, C, D
  • PO4 · Phosphate ion · ion · 3 copies · chains A, B, D
  • GOL · Glycerol · additive · chains C

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1860.550.8526empty
2930.520.8318empty
3620.490.8518empty

Interfaces

6 interfaces between chains.

  • B–D · 715 Ų buried · 7 hydrogen bonds · protein-protein
  • A–C · 711 Ų buried · 9 hydrogen bonds · protein-protein
  • A–D · 401 Ų buried · 6 hydrogen bonds · protein-protein
  • A–B · 81 Ų buried · 0 hydrogen bonds · protein-protein
  • C–D · 69 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 6FAP · Crystal structure of human BAZ2A PHD zinc finger in complex with Fr23 · the same entry in another collection · chain D against D, 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 C against A, TM-score 0.88

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