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MolNFT v1 · #176100 · protein + DNA

The mouse nucleosome structure containing H3MM18

7DBH · Histone H3MM18: “The mouse nucleosome structure containing H3MM18”. Electron microscopy, 20 pockets (best druggability 0.80). MolNFT v1 #176100 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7DBH
Type
protein + DNA
Length
949 residues
Chains
10
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Histone H3MM18; Histone H4; Histone H2A type 1-B; Histone H2B type 3-a; DNA (126-mer)
UniProt
P62806, C0HKE1, Q9D2U9
Pockets
20 · best druggability 0.80

Structure

electron microscopy · 10 distinct chains · 68% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHistone H3MM18protein7865% helix, 5% strand—
BHistone H4protein8265% helix, 7% strandP62806
CHistone H2A type 1-Bprotein9460% helix, 6% strandC0HKE1
DHistone H2B type 3-aprotein9276% helix, 4% strandQ9D2U9
EHistone H3MM18protein8573% helix, 5% strand—
FHistone H4protein7766% helix, 8% strandP62806
GHistone H2A type 1-Bprotein9661% helix, 6% strandC0HKE1
HHistone H2B type 3-aprotein9374% helix, 4% strandQ9D2U9
IDNA (126-mer)dna126——
JDNA (126-mer)dna126——

Pockets

20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18070.800.8378empty
23100.750.8740empty
32400.690.8634empty
42930.680.8340empty
57210.670.7555empty

Interfaces

37 interfaces between chains.

  • I–J · 5688 Ų buried · 600 hydrogen bonds · nucleic-nucleic
  • G–H · 2583 Ų buried · 20 hydrogen bonds · protein-protein
  • C–D · 2533 Ų buried · 18 hydrogen bonds · protein-protein
  • E–F · 2279 Ų buried · 12 hydrogen bonds · protein-protein
  • A–B · 2272 Ų buried · 17 hydrogen bonds · protein-protein

Compared structures

  • 7DBH · The mouse nucleosome structure containing H3mm18 · the same entry in another collection · chain J against J, TM-score 1.00
  • P62806 · AlphaFold monomer V2.0 prediction for histone H4 (P62806) · a predicted model of the same protein · chain F against A, TM-score 0.99

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