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Crystal structure of 167 bp nucleosome bound to the globular domain of linker histone H5

Analyse Crystal structure of 167 bp nucleosome bound to the globular domain of linker… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5WCU
Type
protein + DNA
Length
2,316 residues
Chains
22
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Histone H3; Histone H4; Histone H2A; Histone H2B; DNA (167-mer); Histone H5
UniProt
P02299, P84040, P84051, P02283, P02259
Pockets
20 · best druggability 0.82

Structure

x-ray diffraction · 11 distinct chains · 63% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, KHistone H3protein9867% helix, 4% strandP02299
B, LHistone H4protein8064% helix, 9% strandP84040
C, MHistone H2Aprotein10455% helix, 6% strandP84051
D, NHistone H2Bprotein9474% helix, 3% strandP02283
E, OHistone H3protein9767% helix, 4% strandP02299
F, PHistone H4protein8262% helix, 9% strandP84040
G, QHistone H2Aprotein10355% helix, 7% strandP84051
H, RHistone H2Bprotein9375% helix, 4% strandP02283
I, SDNA (167-mer)dna164——
J, TDNA (167-mer)dna167——
U, VHistone H5protein7647% helix, 8% strandP02259

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19490.820.8492empty
27810.800.8469empty
35460.770.8451empty
43970.750.8654empty
53560.730.8548empty

Interfaces

78 interfaces between chains.

  • S–T · 7634 Ų buried · 645 hydrogen bonds · nucleic-nucleic
  • I–J · 7530 Ų buried · 631 hydrogen bonds · nucleic-nucleic
  • M–N · 2744 Ų buried · 24 hydrogen bonds · protein-protein
  • C–D · 2698 Ų buried · 25 hydrogen bonds · protein-protein
  • Q–R · 2680 Ų buried · 24 hydrogen bonds · protein-protein

Compared structures

  • 5WCU · Crystal structure of 167 bp nucleosome bound to the globular domain of linker histone H5 · the same entry in another collection · chain K against K, TM-score 1.00

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