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Nucleosome containing methylated SAT2R DNA

Analyse Nucleosome containing methylated SAT2R DNA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5CPJ
Type
protein + DNA
Length
1,038 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-B/E; Histone H2B type 1-J; DNA (146-mer)
UniProt
P68431, P62805, P04908, P06899
Pockets
20 · best druggability 0.82

Structure

x-ray diffraction · 10 distinct chains · 63% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHistone H3.1protein9464% helix, 4% strandP68431
BHistone H4protein7860% helix, 9% strandP62805
CHistone H2A type 1-B/Eprotein10556% helix, 7% strandP04908
DHistone H2B type 1-Jprotein9373% helix, 4% strandP06899
EHistone H3.1protein9764% helix, 4% strandP68431
FHistone H4protein8454% helix, 8% strandP62805
GHistone H2A type 1-B/Eprotein10354% helix, 6% strandP04908
HHistone H2B type 1-Jprotein9276% helix, 3% strandP06899
IDNA (146-mer)dna146——
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
19430.820.8480empty
25380.770.8448empty
34500.750.8446empty
48020.740.7969empty
52730.650.8330empty

Interfaces

36 interfaces between chains.

  • I–J · 6467 Ų buried · 599 hydrogen bonds · nucleic-nucleic
  • C–D · 2699 Ų buried · 28 hydrogen bonds · protein-protein
  • G–H · 2596 Ų buried · 28 hydrogen bonds · protein-protein
  • E–F · 2567 Ų buried · 25 hydrogen bonds · protein-protein
  • A–B · 2534 Ų buried · 19 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 modified (nucleotide modification).

Compared structures

  • 5CPJ · Nucleosome containing methylated Sat2R DNA · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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