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Structure of the human ccan cenp-a alpha-satellite complex

Analyse Structure of the human ccan cenp-a alpha-satellite complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7R5R
Type
protein + DNA
Length
1,045 residues
Chains
12
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Histone H3-like centromeric protein a; Histone H4; Histone H2A type 1-C; Histone H2B type…
UniProt
P49450, P62805, Q93077, P62807, Q03188
Pockets
20 · best druggability 0.80

Structure

electron microscopy · 11 distinct chains · 58% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHistone H3-like centromeric protein aprotein9964% helix, 4% strandP49450
BHistone H4protein7863% helix, 8% strandP62805
CHistone H2A type 1-Cprotein9853% helix, 6% strandQ93077
D, HHistone H2B type 1-C/E/F/G/Iprotein9275% helix, 4% strandP62807
EHistone H3-like centromeric protein aprotein9467% helix, 4% strandP49450
FHistone H4protein8063% helix, 8% strandP62805
GHistone H2A type 1-Cprotein10351% helix, 6% strandQ93077
IDNA (171-mer)dna133——
JDNA (171-mer)dna133——
KCentromere protein Cprotein210% helix, 10% strandQ03188
LCentromere protein Cprotein220% helix, 18% strandQ03188

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13520.800.9050empty
23080.790.9045empty
32650.680.8530empty
43560.640.8034empty
55760.630.7543empty

Interfaces

43 interfaces between chains.

  • I–J · 5841 Ų buried · 387 hydrogen bonds · nucleic-nucleic
  • G–H · 2643 Ų buried · 16 hydrogen bonds · protein-protein
  • C–D · 2617 Ų buried · 17 hydrogen bonds · protein-protein
  • A–B · 2614 Ų buried · 15 hydrogen bonds · protein-protein
  • E–F · 2610 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 7R5R · Structure of the human CCAN CENP-A alpha-satellite complex · the same entry in another collection · chain L against L, TM-score 1.00

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