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MolNFT v1 · #185129 · protein + DNA

Nucleosome 3 of the 4X207 nucleosome array containing H1

7PFX · Histone H3.2: “Nucleosome 3 of the 4X207 nucleosome array containing H1”. Electron microscopy, 20 pockets (best druggability 0.80). MolNFT v1 #185129 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7PFX
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 0.80

Structure

electron microscopy · 7 distinct chains · 59% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
K, OHistone H3.2protein9766% helix, 4% strandQ71DI3
L, PHistone H4protein8355% helix, 7% strandP62805
M, QHistone H2A type 1-B/Eprotein10951% helix, 6% strandP04908
N, RHistone H2B type 1-Kprotein9572% helix, 4% strandO60814
IDNA (177-mer)dna177——
JDNA (177-mer)dna177——
SHistone H1.4protein7548% 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
17670.800.8375empty
23170.740.8735empty
33880.730.8443empty
41920.720.9028empty
51720.680.8829empty

Interfaces

38 interfaces between chains.

  • I–J · 7968 Ų buried · 760 hydrogen bonds · nucleic-nucleic
  • Q–R · 2550 Ų buried · 21 hydrogen bonds · protein-protein
  • M–N · 2549 Ų buried · 28 hydrogen bonds · protein-protein
  • O–P · 2487 Ų buried · 25 hydrogen bonds · protein-protein
  • K–L · 2441 Ų buried · 29 hydrogen bonds · protein-protein

Compared structures

  • 7PFX · Nucleosome 3 of the 4x207 nucleosome array containing H1 · the same entry in another collection · chain S against S, TM-score 1.00
  • Q71DI3 · AlphaFold monomer V2.0 prediction for histone H3.2 (Q71DI3) · a predicted model of the same protein · chain O against A, TM-score 0.98

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