GL1X · GenesisL1 explorer

MolNFT v1 · #148214 · protein

CBF3 core complex

6F07 · Centromere DNA-binding protein complex CBF3 subunit B: “CBF3 core complex”. Electron microscopy, 1 ligand (ZN), 20 pockets (best druggability 0.82). MolNFT v1 #148214 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6F07
Type
protein
Length
1,227 residues
Chains
3
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Centromere DNA-binding protein complex CBF3 subunit B; Suppressor of kinetochore protein 1
UniProt
P40969, P52286
Ligands
ZN
Pockets
20 · best druggability 0.82

Structure

electron microscopy · 3 distinct chains · 64% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACentromere DNA-binding protein complex CBF3 subunit Bprotein51068% helix, 1% strandP40969
BCentromere DNA-binding protein complex CBF3 subunit Bprotein57563% helix, 0% strandP40969
DSuppressor of kinetochore protein 1protein14251% helix, 8% strandP52286

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains B

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

Pockets

20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16570.820.8771empty
28170.790.8288empty
34970.770.8568empty
4900.690.9324empty
54590.670.7944empty

Interfaces

2 interfaces between chains.

  • A–B · 2999 Ų buried · 19 hydrogen bonds · protein-protein
  • B–D · 1005 Ų buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 6F07 · CBF3 Core Complex · 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 0.98
  • P52286 · AlphaFold monomer V2.0 prediction for suppressor of kinetochore protein 1 (P52286) · a predicted model of the same protein · chain D against A, TM-score 0.85

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