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The mouse nucleosome structure containing H3.1

Analyse The mouse nucleosome structure containing H3.1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5B1M
Type
protein + DNA
Length
1,048 residues
Chains
10
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Histone H3.1; Histone H4; Histone H2A type 1; Histone H2B type 3-a; DNA (146-mer)
UniProt
P68433, P62806, P22752, Q9D2U9
Pockets
20 · best druggability 0.75

Structure

x-ray diffraction · 9 distinct chains · 64% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHistone H3.1protein9765% helix, 4% strandP68433
BHistone H4protein7863% helix, 9% strandP62806
CHistone H2A type 1protein10856% helix, 6% strandP22752
DHistone H2B type 3-aprotein9472% helix, 4% strandQ9D2U9
EHistone H3.1protein9965% helix, 4% strandP68433
FHistone H4protein8460% helix, 8% strandP62806
GHistone H2A type 1protein10457% helix, 7% strandP22752
HHistone H2B type 3-aprotein9274% helix, 4% strandQ9D2U9
I, JDNA (146-mer)dna146——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13970.750.8649empty
22030.720.8931empty
37440.700.7758empty
41410.670.8927empty
55830.670.7730empty

Interfaces

35 interfaces between chains.

  • I–J · 6450 Ų buried · 528 hydrogen bonds · nucleic-nucleic
  • E–F · 2746 Ų buried · 28 hydrogen bonds · protein-protein
  • C–D · 2628 Ų buried · 22 hydrogen bonds · protein-protein
  • G–H · 2583 Ų buried · 24 hydrogen bonds · protein-protein
  • A–B · 2471 Ų buried · 21 hydrogen bonds · protein-protein

Compared structures

  • 5B1M · The mouse nucleosome structure containing H3.1 · the same entry in another collection · chain J against J, TM-score 1.00
  • P68433 · AlphaFold monomer V2.0 prediction for histone H3.1 (P68433) · a predicted model of the same protein · chain A against A, TM-score 0.99
  • P62806 · AlphaFold monomer V2.0 prediction for histone H4 (P62806) · a predicted model of the same protein · chain F against A, TM-score 0.98

Analyse

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