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Cryo-EM structure of cenp-a nucleosome in complex with kinetochore protein cenp-N

Analyse Cryo-EM structure of cenp-a nucleosome in complex with kinetochore protein… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6BUZ
Type
protein + DNA
Length
1,168 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; DNA…
UniProt
P49450, P62805, P04908, P06899, P0AEY0, Q96H22
Pockets
20 · best druggability 0.79

Structure

electron microscopy · 7 distinct chains · 55% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, EHistone H3-like centromeric protein aprotein9166% helix, 3% strandP49450
B, FHistone H4protein8060% helix, 5% strandP62805
C, GHistone H2Aprotein10753% helix, 5% strandP04908
D, HHistone H2Bprotein9470% helix, 4% strandP06899
IDNA (147-mer)dna145——
JDNA (147-mer)dna145——
NMaltose-binding periplasmic protein, centromere protein N chimeraprotein13437% helix, 0% strandP0AEY0, Q96H22

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15420.790.8663empty
22300.750.9040empty
32390.750.8945empty
42480.720.8727empty
54870.700.8148empty

Interfaces

41 interfaces between chains.

  • I–J · 6730 Ų buried · 856 hydrogen bonds · nucleic-nucleic
  • G–H · 2572 Ų buried · 19 hydrogen bonds · protein-protein
  • C–D · 2569 Ų buried · 15 hydrogen bonds · protein-protein
  • A–B · 2542 Ų buried · 15 hydrogen bonds · protein-protein
  • E–F · 2534 Ų buried · 16 hydrogen bonds · protein-protein

Compared structures

  • 6BUZ · Cryo-EM structure of CENP-A nucleosome in complex with kinetochore protein CENP-N · the same entry in another collection · chain N against N, 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 E against A, TM-score 0.98

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