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Complex structure 1 of DAXX/H3.3(SUB5)/H4

Analyse Complex structure 1 of DAXX/H3.3(SUB5)/H4 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4H9N
Type
protein
Length
386 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Histone H3.3; Histone H4; Death domain-associated protein 6
UniProt
P84243, P62805, Q9UER7
Ligands
PO4
Pockets
4 · best druggability 0.74

Structure

x-ray diffraction · 3 distinct chains · 65% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHistone H3.3protein9862% helix, 4% strandP84243
BHistone H4protein8355% helix, 4% strandP62805
CDeath domain-associated protein 6protein20570% helix, 1% strandQ9UER7

Ligands and binding sites

  • PO4 · Phosphate ion · ion · 9 copies · chains A, C, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1690.740.9824empty
22150.730.8926empty
3500.640.9516empty
41030.380.7522empty

Interfaces

3 interfaces between chains.

  • A–C · 3193 Ų buried · 46 hydrogen bonds · protein-protein
  • A–B · 2114 Ų buried · 17 hydrogen bonds · protein-protein
  • B–C · 1776 Ų buried · 21 hydrogen bonds · protein-protein

Compared structures

  • 4H9N · Complex structure 1 of DAXX/H3.3(sub5)/H4 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9UER7 · AlphaFold monomer V2.0 prediction for death domain-associated protein 6 (Q9UER7) · a predicted model of the same protein · chain C against A, TM-score 0.99
  • P84243 · AlphaFold monomer V2.0 prediction for histone H3.3 (P84243) · a predicted model of the same protein · chain A against A, TM-score 0.66

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