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MolNFT v1 · #141218 · protein

The crystal structure of kinetochore subunits cenp-H/I/K triple complex

5Z08 · Cenp-I: “The crystal structure of kinetochore subunits cenp-H/I/K triple complex”. X-ray diffraction, 6 pockets (best druggability 0.74). MolNFT v1 #141218 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5Z08
Type
protein
Length
574 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cenp-I; Cenp-K; Cenp-H
UniProt
G0SFF7, G2R3T1, G2R207
Pockets
6 · best druggability 0.74

Structure

x-ray diffraction · 3 distinct chains · 64% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BCenp-Iprotein21466% helix, 2% strandG0SFF7
CCenp-Kprotein10260% helix, 9% strandG2R3T1
DCenp-Hprotein4466% helix, 0% strandG2R207

Pockets

6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15590.740.8262empty
2850.720.9622empty
31270.450.7727empty
4540.430.8315empty
5880.360.7515empty

Interfaces

4 interfaces between chains.

  • C–D · 1541 Ų buried · 6 hydrogen bonds · protein-protein
  • A–B · 905 Ų buried · 12 hydrogen bonds · protein-protein
  • B–D · 678 Ų buried · 6 hydrogen bonds · protein-protein
  • B–C · 419 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 5Z08 · The crystal structure of kinetochore subunits Cenp-H/I/K triple complex · the same entry in another collection · chain A against A, TM-score 1.00

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