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MolNFT v1 · #51680 · protein

Insights into kinetochore-DNA interactions from the structure of CEP3P

2VEQ · Centromere DNA-binding protein complex CBF3 subunit B: “Insights into kinetochore-DNA interactions from the structure of CEP3P”. X-ray diffraction, 9 pockets (best druggability 0.81). MolNFT v1 #51680 on GenesisL1: 3D structure…

PDB
2VEQ
Type
protein
Length
520 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Centromere DNA-binding protein complex CBF3 subunit B
UniProt
P40969
Pockets
9 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 71% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACentromere DNA-binding protein complex CBF3 subunit Bprotein52071% helix, 1% strandP40969

Ligands and binding sites

  • BME · Beta-mercaptoethanol · additive · chains A
  • CAC · Cacodylate ion · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14520.810.8958BME
21240.440.7622empty
31130.430.7723empty
4920.430.7914empty
51220.410.7514empty

Modifications

Observed in the structure: 1 covalent, 1 disulfide (additive adduct, disulfide).

Compared structures

  • 2VEQ · Insights into kinetochore-DNA interactions from the structure of Cep3p · the same entry in another collection · chain A against A, TM-score 1.00
  • P40969 · AlphaFold monomer V2.0 prediction for centromere DNA-binding protein complex CBF3 subunit… · a predicted model of the same protein · chain A against A, TM-score 0.99

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