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Structural mechanism of nucleosome dynamics governed by human histone variants H2A.B and H2A.Z.2.2

Analyse Structural mechanism of nucleosome dynamics governed by human histone variants… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6M4G
Type
protein + DNA
Length
842 residues
Chains
10
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (93-mer); Histone H3.1; Histone H4; Histone H2B type 2-E; Histone H2A-bbd type 2/3
UniProt
P68431, P62805, Q16778, P0C5Z0
Pockets
20 · best druggability 0.78

Structure

electron microscopy · 6 distinct chains · 67% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
IDNA (93-mer)dna93——
JDNA (93-mer)dna93——
A, EHistone H3.1protein7472% helix, 5% strandP68431
B, FHistone H4protein7664% helix, 8% strandP62805
D, HHistone H2B type 2-Eprotein8876% helix, 1% strandQ16778
C, GHistone H2A-bbd type 2/3protein9057% helix, 4% strandP0C5Z0

Pockets

20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18190.780.8272empty
26200.660.7647empty
33790.620.7839empty
44950.610.7534empty
53490.580.7626empty

Interfaces

34 interfaces between chains.

  • I–J · 4284 Ų buried · 304 hydrogen bonds · nucleic-nucleic
  • D–C · 2413 Ų buried · 17 hydrogen bonds · protein-protein
  • H–G · 2396 Ų buried · 17 hydrogen bonds · protein-protein
  • E–F · 2024 Ų buried · 12 hydrogen bonds · protein-protein
  • A–B · 2022 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 6M4G · Structural mechanism of nucleosome dynamics governed by human histone variants H2A.B and… · the same entry in another collection · chain G against G, TM-score 1.00
  • P0C5Z0 · AlphaFold monomer V2.0 prediction for histone H2A-bbd type 2/3 (P0C5Z0) · a predicted model of the same protein · chain C against A, TM-score 0.92
  • Q16778 · AlphaFold monomer V2.0 prediction for histone H2B type 2-E (Q16778) · a predicted model of the same protein · chain D against A, TM-score 0.89

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