Hydratase from lactobacillus acidophilus in a ligand bound form (la lah)

Structure

x-ray diffraction · 2 distinct chains · 35% helix, 18% strand (DSSP).

Ligands and binding sites

• EIC · Linoleic acid · ligand · chains A
• NA · Sodium ion · metal · 2 copies · chains A, B
• K · Potassium ion · metal · 2 copies · chains A, B
• PO4 · Phosphate ion · ion · 4 copies · chains A, B
• NO3 · Nitrate ion · ion · chains B
• GOL · Glycerol · additive · 10 copies · chains A, B
• MPD · (4S)-2-methyl-2,4-pentanediol · additive · 5 copies · chains A, B
• MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 3 copies · chains A, B
• MRD · (4R)-2-methylpentane-2,4-diol · additive · chains A
• TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains B

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

Pockets

11 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 2454 Ų buried · 38 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 covalent (additive adduct).

Compared structures

• 4IA6 · Hydratase from lactobacillus acidophilus in a ligand bound form (LA LAH) · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt Q5FL96
• Elsewhere: RCSB PDB 4IA6 · PDBe 4IA6 · UniProt Q5FL96