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343 bp di-nucleosome harboring cohesive DNA termini assembled with linker histone H1.0

Analyse 343 bp di-nucleosome harboring cohesive DNA termini assembled with linker… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6LA2
Type
protein + DNA
Length
4,607 residues
Chains
38
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 (343-mer)…
UniProt
P68431, P62805, P04908, P06899, P07305
Pockets
20 · best druggability 0.82

Structure

x-ray diffraction · 19 distinct chains · 61% helix, 7% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
e, K, O, UHistone H3.1protein9967% helix, 4% strandP68431
f, LHistone H4protein8262% helix, 7% strandP62805
g, C, M, WHistone H2A type 1-B/Eprotein10954% helix, 6% strandP04908
h, l, H, R, bHistone H2B type 1-Jprotein9675% helix, 4% strandP06899
i, A, E, YHistone H3.1protein10066% helix, 4% strandP68431
jHistone H4protein8164% helix, 9% strandP62805
kHistone H2A type 1-B/Eprotein10855% helix, 6% strandP04908
I, cDNA (343-mer)dna343——
J, dDNA (343-mer)dna343——
BHistone H4protein8361% helix, 8% strandP62805
D, NHistone H2B type 1-Jprotein9773% helix, 4% strandP06899
F, VHistone H4protein8461% helix, 8% strandP62805
GHistone H2A type 1-B/Eprotein10457% helix, 7% strandP04908
S, THistone H1.0protein7524% helix, 17% strandP07305
PHistone H4protein8659% helix, 8% strandP62805
QHistone H2A type 1-B/Eprotein10656% helix, 7% strandP04908
XHistone H2B type 1-Jprotein9179% helix, 4% strandP06899
ZHistone H4protein8560% helix, 8% strandP62805
aHistone H2A type 1-B/Eprotein10357% helix, 7% strandP04908

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110830.820.8398empty
28380.800.8385empty
37990.800.8373empty
47660.790.8373empty
55590.790.8575empty

Interfaces

177 interfaces between chains.

  • c–d · 15508 Ų buried · 1,368 hydrogen bonds · nucleic-nucleic
  • I–J · 15445 Ų buried · 1,310 hydrogen bonds · nucleic-nucleic
  • O–P · 2806 Ų buried · 26 hydrogen bonds · protein-protein
  • E–F · 2776 Ų buried · 29 hydrogen bonds · protein-protein
  • Y–Z · 2744 Ų buried · 17 hydrogen bonds · protein-protein

Compared structures

  • 6LA2 · 343 bp di-nucleosome harboring cohesive DNA termini assembled with linker histone H1.0 · the same entry in another collection · chain j against j, TM-score 1.00

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