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Cryo-EM structure of cenp-a nucleosome (palindromic alpha satellite DNA) in complex with cenp-N

Analyse Cryo-EM structure of cenp-a nucleosome (palindromic alpha satellite DNA) in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7U46
Type
protein + DNA
Length
1,215 residues
Chains
11
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Histone H3-like centromeric protein a; Histone H4; Histone H2A; Histone H2B type…
UniProt
P49450, P62805, Q93077, P62807, Q96H22
Pockets
20 · best druggability 0.83

Structure

electron microscopy · 10 distinct chains · 59% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHistone H3-like centromeric protein aprotein8969% helix, 4% strandP49450
BHistone H4protein7958% helix, 8% strandP62805
CHistone H2Aprotein9954% helix, 6% strandQ93077
D, HHistone H2B type 1-C/E/F/G/Iprotein9274% helix, 4% strandP62807
EHistone H3-like centromeric protein aprotein9168% helix, 4% strandP49450
FHistone H4protein7860% helix, 8% strandP62805
GHistone H2Aprotein10056% helix, 6% strandQ93077
KCentromere protein Nprotein20547% helix, 20% strandQ96H22
IDNA (147-mer)dna145——
JDNA (147-mer)dna145——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19370.830.8486empty
26640.770.8280empty
34590.740.8356empty
43960.730.8450empty
58910.690.7554empty

Interfaces

41 interfaces between chains.

  • I–J · 6481 Ų buried · 478 hydrogen bonds · nucleic-nucleic
  • C–D · 2569 Ų buried · 14 hydrogen bonds · protein-protein
  • G–H · 2546 Ų buried · 13 hydrogen bonds · protein-protein
  • A–B · 2494 Ų buried · 12 hydrogen bonds · protein-protein
  • E–F · 2461 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 7U46 · Cryo-EM structure of CENP-A nucleosome (palindromic alpha satellite DNA) in complex with… · the same entry in another collection · chain J against J, TM-score 1.00
  • P49450 · AlphaFold monomer V2.0 prediction for histone H3-like centromeric protein a (P49450) · a predicted model of the same protein · chain A against A, TM-score 0.98

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