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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
6M4D
Type
protein + DNA
Length
932 residues
Chains
10
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Histone H3.1; Histone H4; Histone H2A.V; Histone H2B type 2-E; DNA (125-mer)
UniProt
P68431, P62805, Q71UI9, Q16778
Pockets
20 · best druggability 0.81

Structure

electron microscopy · 6 distinct chains · 66% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, EHistone H3.1protein7768% helix, 5% strandP68431
B, FHistone H4protein8060% helix, 6% strandP62805
C, GHistone H2A.Vprotein9160% helix, 2% strandQ71UI9
D, HHistone H2B type 2-Eprotein9374% helix, 1% strandQ16778
IDNA (125-mer)dna125——
JDNA (125-mer)dna125——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17910.810.84101empty
2930.760.9623empty
33680.740.8551empty
4890.730.9524empty
53590.690.8330empty

Interfaces

36 interfaces between chains.

  • I–J · 5744 Ų buried · 629 hydrogen bonds · nucleic-nucleic
  • G–H · 2398 Ų buried · 34 hydrogen bonds · protein-protein
  • C–D · 2386 Ų buried · 30 hydrogen bonds · protein-protein
  • A–B · 2082 Ų buried · 19 hydrogen bonds · protein-protein
  • E–F · 2068 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

  • 6M4D · Structural mechanism of nucleosome dynamics governed by human histone variants H2A.B and… · the same entry in another collection · chain J against J, TM-score 1.00
  • Q71UI9 · AlphaFold monomer V2.0 prediction for histone H2A.V (Q71UI9) · a predicted model of the same protein · chain C against A, TM-score 0.93
  • 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 0.86

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