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Crystal structure of cbs domain-containing protein ykul from bacillus subtilis

Analyse Crystal structure of cbs domain-containing protein ykul from bacillus subtilis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1YAV
Type
protein
Length
269 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hypothetical protein BSU14130
UniProt
O31698
Ligands
SO4
Pockets
3 · best druggability 0.63

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHypothetical protein BSU14130protein13438% helix, 28% strandO31698
BHypothetical protein BSU14130protein13542% helix, 28% strandO31698

Ligands and binding sites

  • SO4 · Sulfate ion · ion · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12060.630.8228empty
25510.620.7451SO4
3660.350.7714empty

Interfaces

1 interface between chains.

  • A–B · 1410 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 1YAV · Crystal structure of CBS domain-containing protein ykuL from Bacillus subtilis · the same entry in another collection · chain A against A, TM-score 1.00
  • O31698 · AlphaFold monomer V2.0 prediction for cbs domain-containing protein ykul (O31698) · a predicted model of the same protein · chain B against A, TM-score 0.99

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