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Crystal structure of sex pheromone precursor (YP_536235.1) from lactobacillus salivarius subsp. salivarius UCC118 at 1.35 a resolution

Analyse Crystal structure of sex pheromone precursor (YP_536235.1) from lactobacillus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3IB5
Type
protein
Length
342 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Sex pheromone precursor
UniProt
Q1WSH7
Ligands
MG, NO3
Pockets
4 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 25% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASex pheromone precursorprotein34225% helix, 32% strandQ1WSH7

Ligands and binding sites

  • MG · Magnesium ion · metal · chains A
  • NO3 · Nitrate ion · ion · chains A
  • EDO · 1,2-ethanediol · additive · 3 copies · chains A
  • PEG · Di(hydroxyethyl)ether · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12260.530.7735empty
21250.470.7833empty
31020.410.7724empty
4900.350.7520empty

Modifications

Observed in the structure: 4 modified (engineered).

Compared structures

  • 3IB5 · Crystal structure of Sex pheromone precursor (YP_536235.1) from LACTOBACILLUS SALIVARIUS… · the same entry in another collection · chain A against A, TM-score 1.00

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