1.02 ångström resolution crystal structure of 3-phosphoshikimate 1- carboxyvinyltransferase from vibrio cholerae in complex with shikimate-3-phosphate (partially photolyzed) and glyphosate

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 24% strand (DSSP).

Ligands and binding sites

• S3P · Shikimate-3-phosphate · ligand · chains A
• SKM · (3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid · ligand · chains A
• GPJ · Glyphosate · ligand · chains A
• MG · Magnesium ion · metal · 3 copies · chains A
• CL · Chloride ion · ion · 4 copies · chains A
• PO4 · Phosphate ion · ion · chains A
• EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A

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

Pockets

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

Compared structures

• 3NVS · 1.02 Angstrom resolution crystal structure of 3-phosphoshikimate… · the same entry in another collection · chain A against A, TM-score 1.00
• Q9KRB0 · AlphaFold monomer V2.0 prediction for 3-phosphoshikimate 1-carboxyvinyltransferase… · a predicted model of the same protein · 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 Q9KRB0
• Elsewhere: RCSB PDB 3NVS · PDBe 3NVS · UniProt Q9KRB0