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MolNFT v1 · #185127 · protein + DNA

Nucleosome 1 of the 4X207 nucleosome array containing H1

7PFV · Histone H3.2: “Nucleosome 1 of the 4X207 nucleosome array containing H1”. Electron microscopy, 20 pockets (best druggability 0.77). MolNFT v1 #185127 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7PFV
Type
protein + DNA
Length
1,197 residues
Chains
11
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Histone H3.2; Histone H4; Histone H2A type 1-B/E; Histone H2B type 1-K; DNA (177-mer)…
UniProt
Q71DI3, P62805, P04908, O60814, P10412
Pockets
20 · best druggability 0.77

Structure

electron microscopy · 7 distinct chains · 59% helix, 7% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, EHistone H3.2protein9766% helix, 4% strandQ71DI3
B, FHistone H4protein8360% helix, 8% strandP62805
C, GHistone H2A type 1-B/Eprotein10952% helix, 6% strandP04908
D, HHistone H2B type 1-Kprotein9572% helix, 4% strandO60814
JDNA (177-mer)dna177——
IDNA (177-mer)dna177——
UHistone H1.4protein7545% helix, 12% strandP10412

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16340.770.8376empty
23620.760.8742empty
33330.740.8646empty
42430.710.8734empty
52050.700.8828empty

Interfaces

38 interfaces between chains.

  • J–I · 8030 Ų buried · 779 hydrogen bonds · nucleic-nucleic
  • E–F · 2620 Ų buried · 24 hydrogen bonds · protein-protein
  • G–H · 2551 Ų buried · 35 hydrogen bonds · protein-protein
  • C–D · 2550 Ų buried · 21 hydrogen bonds · protein-protein
  • A–B · 2522 Ų buried · 33 hydrogen bonds · protein-protein

Compared structures

  • 7PFV · Nucleosome 1 of the 4x207 nucleosome array containing H1 · the same entry in another collection · chain U against U, TM-score 1.00
  • Q71DI3 · AlphaFold monomer V2.0 prediction for histone H3.2 (Q71DI3) · a predicted model of the same protein · chain E against A, TM-score 0.98

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