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Stationary phase survival protein yuic from B.SUBTILIS complexed with reaction product

Analyse Stationary phase survival protein yuic from B.SUBTILIS complexed with reaction… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4WLK
Type
protein
Length
289 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Yuic
UniProt
O32108
Ligands
3QL
Pockets
3 · best druggability 0.48

Structure

x-ray diffraction · 2 distinct chains · 23% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AYuicprotein14522% helix, 29% strandO32108
BYuicprotein14424% helix, 29% strandO32108

Ligands and binding sites

  • 3QL · N-[(1R,2S,3R,4R,5R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-6,8-dioxabicyclo[3.2.1]octan-4-yl]ethanamide · ligand · 2 copies · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11530.480.77293QL
2960.450.80263QL
3510.270.7415empty

Interfaces

1 interface between chains.

  • A–B · 4054 Ų buried · 58 hydrogen bonds · protein-protein

Compared structures

  • 4WLK · Stationary Phase Survival Protein YuiC from B.subtilis complexed with reaction product · the same entry in another collection · chain A against A, TM-score 1.00
  • O32108 · AlphaFold monomer V2.0 prediction for uncharacterized protein yuic (O32108) · a predicted model of the same protein · chain A against A, TM-score 0.72

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