Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (ispf) burkholderia pseudomallei in compomplex with ligand hgn-0961 (BSI110840)

Structure

x-ray diffraction · 1 distinct chain.

Ligands and binding sites

• QOG · 5-{[(propan-2-yl)carbamoyl]amino}-1,3,4-thiadiazole-2-sulfonamide · ligand · 3 copies · chains A, B, C
• MLT · D-malate · ligand · chains A, B, C
• ZN · Zinc ion · metal · 3 copies · chains A, B, C
• DMS · Dimethyl sulfoxide · additive · 5 copies · chains A, B, C
• EDO · 1,2-ethanediol · additive · 3 copies · chains A, B, C

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

Compared structures

• 6V3M · Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF)… · the same entry in another collection · chain A against A, TM-score 1.00
• Q3JRA0 · 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 0.98

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 Q3JRA0
• Elsewhere: RCSB PDB 6V3M · PDBe 6V3M · UniProt Q3JRA0