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MolNFT v1 · #142749 · protein

Structure insight into histone chaperone CHZ1-mediated H2A.Z recognition and replacement

6AE8 · Histone H2B.1,HISTONE H2A.Z: “Structure insight into histone chaperone CHZ1-mediated H2A.Z recognition and replacement”. X-ray diffraction, 1 ligand (BCN), 7 pockets (best druggability 0.54). MolNFT v1 #142749 on GenesisL1: 3D…

PDB
6AE8
Type
protein
Length
388 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Histone H2B.1,HISTONE H2A.Z; Histone H2A.Z-specific chaperone CHZ1
UniProt
P02293, Q12692, P40019
Ligands
BCN
Pockets
7 · best druggability 0.54

Structure

x-ray diffraction · 4 distinct chains · 67% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHistone H2B.1,HISTONE H2A.Zprotein18270% helix, 5% strandP02293, Q12692
CHistone H2A.Z-specific chaperone CHZ1protein1225% helix, 8% strandP40019
BHistone H2B.1,HISTONE H2A.Zprotein18270% helix, 5% strandP02293, Q12692
DHistone H2A.Z-specific chaperone CHZ1protein1225% helix, 8% strandP40019

Ligands and binding sites

  • BCN · Bicine · ligand · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12940.540.7535empty
22210.520.7723empty
31460.490.7819empty
4960.390.7618empty
5760.350.7616empty

Interfaces

4 interfaces between chains.

  • A–B · 688 Ų buried · 20 hydrogen bonds · protein-protein
  • A–C · 543 Ų buried · 13 hydrogen bonds · protein-protein
  • B–D · 543 Ų buried · 21 hydrogen bonds · protein-protein
  • C–B · 38 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 6AE8 · Structure insight into histone chaperone Chz1-mediated H2A.Z recognition and replacement · the same entry in another collection · chain A against A, TM-score 1.00
  • P02293 · AlphaFold monomer V2.0 prediction for histone H2B.1 (P02293) · a predicted model of the same protein · chain A against A, TM-score 0.49
  • Q12692 · AlphaFold monomer V2.0 prediction for histone H2A.Z (Q12692) · a predicted model of the same protein · chain A against A, TM-score 0.47
  • P40019 · AlphaFold monomer V2.0 prediction for histone H2A.Z-specific chaperone CHZ1 (P40019) · a predicted model of the same protein · chain D against A, TM-score 0.38

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