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Quorum-sensing signal integrator luxo - catalytic domain bound to cv- 133 inhibitor

Analyse Quorum-sensing signal integrator luxo - catalytic domain bound to cv- 133… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5EP3
Type
protein
Length
253 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative repressor protein luxo
UniProt
Q1ZS18
Ligands
5QT, SO4
Pockets
1 · best druggability 0.43

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative repressor protein luxoprotein25347% helix, 14% strandQ1ZS18

Ligands and binding sites

  • 5QT · 2,2-dimethylpropyl 2-[(3-oxidanylidene-5-sulfanylidene-2~{H}-1,2,4-triazin-6-yl)amino]ethanoate · ligand · chains A
  • SO4 · Sulfate ion · ion · chains A
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A
  • EDO · 1,2-ethanediol · additive · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11280.430.76225QT, SO4

Compared structures

  • 5EP3 · Quorum-Sensing Signal Integrator LuxO - Catalytic Domain Bound to CV-133 Inhibitor · the same entry in another collection · chain A against A, TM-score 1.00

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