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2.6 a structure of a 40-601[TA-RICH+1]-40 nucleosome

Analyse 2.6 a structure of a 40-601[TA-RICH+1]-40 nucleosome in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7SWY
Type
protein + DNA
Length
1,037 residues
Chains
10
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Histone H3; Histone H4; Histone H2A; Histone H2B; DNA tracking strand; DNA guide strand
UniProt
A0A310TTQ1, P62799, P06897, A0A1L8FQ56
Pockets
20 · best druggability 0.79

Structure

electron microscopy · 10 distinct chains · 62% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHistone H3protein9561% helix, 4% strandA0A310TTQ1
BHistone H4protein8358% helix, 8% strandP62799
CHistone H2Aprotein10553% helix, 7% strandP06897
DHistone H2Bprotein9671% helix, 4% strandA0A1L8FQ56
EHistone H3protein9765% helix, 4% strandA0A310TTQ1
FHistone H4protein8556% helix, 8% strandP62799
GHistone H2Aprotein9856% helix, 7% strandP06897
HHistone H2Bprotein9274% helix, 4% strandA0A1L8FQ56
IDNA tracking stranddna143——
JDNA guide stranddna143——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110320.790.8183empty
26000.740.8155empty
32760.710.8632empty
43380.710.8439empty
52620.670.8436empty

Interfaces

34 interfaces between chains.

  • I–J · 6500 Ų buried · 511 hydrogen bonds · nucleic-nucleic
  • E–F · 2638 Ų buried · 16 hydrogen bonds · protein-protein
  • C–D · 2585 Ų buried · 19 hydrogen bonds · protein-protein
  • G–H · 2583 Ų buried · 20 hydrogen bonds · protein-protein
  • A–B · 2509 Ų buried · 19 hydrogen bonds · protein-protein

Compared structures

  • 7SWY · 2.6 A structure of a 40-601[TA-rich+1]-40 nucleosome · the same entry in another collection · chain J against J, TM-score 1.00
  • P62799 · AlphaFold monomer V2.0 prediction for histone H4 (P62799) · a predicted model of the same protein · chain B against A, TM-score 0.97
  • P06897 · AlphaFold monomer V2.0 prediction for histone H2A type 1 (P06897) · a predicted model of the same protein · chain G against A, TM-score 0.96

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