Crystal structure of 2-C-methyl-D-erythritol 2,4- cyclodiphosphate synthase ispf complexed with cytidine triphosphate

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 30% strand (DSSP).

Ligands and binding sites

• CTP · Cytidine-5'-triphosphate · ligand · chains A
• MG · Magnesium ion · metal · 2 copies · chains A
• CL · Chloride ion · ion · chains A
• SO4 · Sulfate 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

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

Modifications

Observed in the structure: 4 modified (engineered).

Compared structures

• 3FPI · Crystal Structure of 2-C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase IspF complexed… · the same entry in another collection · chain A against A, TM-score 1.00
• Q66EC2 · AlphaFold monomer V2.0 prediction for 2-C-methyl-D-erythritol 2,4-cyclodiphosphate… · a predicted model of the same protein · chain A against A, TM-score 0.97

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 Q66EC2
• Elsewhere: RCSB PDB 3FPI · PDBe 3FPI · UniProt Q66EC2