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MolNFT v1 · #176108 · protein + DNA

Linker histone defines structure and self-association behaviour of the 177 bp human chromosome

7DBP · Histone H1.0: “Linker histone defines structure and self-association behaviour of the 177 bp human chromosome”. Electron microscopy, 20 pockets (best druggability 0.77). MolNFT v1 #176108 on GenesisL1: 3D structure, binding sites…

PDB
7DBP
Type
protein + DNA
Length
1,187 residues
Chains
11
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Histone H1.0; Histone H3.1; Histone H4; Histone H2A type 1-B/E; Histone H2B type 1-K; DNA…
UniProt
P07305, P68431, P62805, P04908, O60814
Pockets
20 · best druggability 0.77

Structure

electron microscopy · 10 distinct chains · 60% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
KHistone H1.0protein7749% helix, 12% strandP07305
AHistone H3.1protein9862% helix, 1% strandP68431
B, FHistone H4protein8363% helix, 4% strandP62805
CHistone H2A type 1-B/Eprotein10553% helix, 6% strandP04908
DHistone H2B type 1-Kprotein9569% helix, 4% strandO60814
EHistone H3.1protein9763% helix, 2% strandP68431
GHistone H2A type 1-B/Eprotein10354% helix, 6% strandP04908
HHistone H2B type 1-Kprotein9669% helix, 4% strandO60814
IDNA (175-mer)dna175——
JDNA (175-mer)dna175——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16300.770.8362empty
27750.760.8159empty
35830.750.8259empty
47930.730.7958empty
54760.700.8139empty

Interfaces

38 interfaces between chains.

  • I–J · 7501 Ų buried · 360 hydrogen bonds · nucleic-nucleic
  • A–B · 2501 Ų buried · 8 hydrogen bonds · protein-protein
  • E–F · 2457 Ų buried · 10 hydrogen bonds · protein-protein
  • G–H · 2414 Ų buried · 9 hydrogen bonds · protein-protein
  • C–D · 2410 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 7DBP · Linker histone defines structure and self-association behaviour of the 177 bp human… · the same entry in another collection · chain J against J, TM-score 1.00
  • P68431 · AlphaFold monomer V2.0 prediction for histone H3.1 (P68431) · a predicted model of the same protein · chain E against A, TM-score 0.93

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