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Crystal structure of cenp-C in complex with the nucleosome core particle

Analyse Crystal structure of cenp-C in complex with the nucleosome core particle in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4X23
Type
protein + DNA
Length
2,103 residues
Chains
24
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (147-mer); Histone H3; Histone H4; Histone H2A; Histone H2B; Cenp-C
UniProt
P02299, P84040, P84051, P02283, Q66LH7
Pockets
20 · best druggability 0.85

Structure

x-ray diffraction · 12 distinct chains · 60% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
I, SDNA (147-mer)dna146——
J, TDNA (147-mer)dna146——
A, KHistone H3protein9566% helix, 4% strandP02299
B, F, L, PHistone H4protein7961% helix, 9% strandP84040
C, G, M, QHistone H2Aprotein10251% helix, 6% strandP84051
D, H, NHistone H2Bprotein9073% helix, 4% strandP02283
E, OHistone H3protein9866% helix, 4% strandP02299
VCenp-Cprotein220% helix, 5% strandQ66LH7
UCenp-Cprotein50% helix, 0% strandQ66LH7
RHistone H2Bprotein8876% helix, 5% strandP02283
XCenp-Cprotein210% helix, 5% strandQ66LH7
WCenp-Cprotein30% helix, 0% strandQ66LH7

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18600.850.8896empty
25690.790.8653empty
34840.770.8550empty
48720.730.7861empty
57950.720.7862empty

Interfaces

98 interfaces between chains.

  • I–J · 6674 Ų buried · 612 hydrogen bonds · nucleic-nucleic
  • S–T · 6656 Ų buried · 601 hydrogen bonds · nucleic-nucleic
  • E–F · 2568 Ų buried · 23 hydrogen bonds · protein-protein
  • G–H · 2559 Ų buried · 24 hydrogen bonds · protein-protein
  • M–N · 2558 Ų buried · 20 hydrogen bonds · protein-protein

Compared structures

  • 4X23 · Crystal structure of cenp-C in complex with the nucleosome core particle · the same entry in another collection · chain V against V, TM-score 1.00

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