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Crystal structure of the vibrio cholerae luxq periplasmic domain (semet)

Analyse Crystal structure of the vibrio cholerae luxq periplasmic domain (semet) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3C30
Type
protein
Length
219 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Autoinducer 2 sensor KINASE/PHOSPHATASE luxq
EC
2.7.13.3, 3.1.3.-
UniProt
Q9KLK7
Pockets
1 · best druggability 0.25

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAutoinducer 2 sensor KINASE/PHOSPHATASE luxq (EC 2.7.13.3, 3.1.3.-)protein21936% helix, 31% strandQ9KLK7

Ligands and binding sites

  • MES · 2-(N-morpholino)-ethanesulfonic acid · 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
1510.250.7315empty

Modifications

Observed in the structure: 1 modified (engineered).

Compared structures

  • 3C30 · Crystal structure of the Vibrio Cholerae LuxQ periplasmic domain (SeMet) · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9KLK7 · AlphaFold monomer V2.0 prediction for autoinducer 2 sensor KINASE/PHOSPHATASE luxq… · a predicted model of the same protein · chain A against A, TM-score 0.97

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