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MolNFT v1 · #40332 · protein

Crystal structure of the cia- histone H3-H4 complex

2IO5 · ASF1A protein: “Crystal structure of the cia- histone H3-H4 complex”. X-ray diffraction, 3 pockets (best druggability 0.60). MolNFT v1 #40332 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2IO5
Type
protein
Length
307 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ASF1A protein; Histone H3.1; Histone H4
UniProt
Q6IA08, P84233, P62799
Pockets
3 · best druggability 0.60

Structure

x-ray diffraction · 3 distinct chains · 38% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AASF1A proteinprotein15412% helix, 51% strandQ6IA08
BHistone H3.1protein7671% helix, 4% strandP84233
CHistone H4protein7757% helix, 8% strandP62799

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12270.600.8026empty
21370.440.7624empty
3610.320.7613empty

Interfaces

3 interfaces between chains.

  • B–C · 2180 Ų buried · 14 hydrogen bonds · protein-protein
  • A–B · 951 Ų buried · 18 hydrogen bonds · protein-protein
  • A–C · 438 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 2IO5 · Crystal structure of the CIA- histone H3-H4 complex · the same entry in another collection · chain A against A, TM-score 1.00
  • P84233 · AlphaFold monomer V2.0 prediction for histone H3.2 (P84233) · a predicted model of the same protein · chain B against A, TM-score 0.88

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