Ternary complex of the human type II inosine monophosphate dedhydrogenase with ribavirin monophosphate and C2- mycophenolic adenine dinucleotide

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 14% strand (DSSP).

Ligands and binding sites

• RVP · Ribavirin monophosphate · ligand · 2 copies · chains A, B
• MYD · {[5-(6-amino-purin-7-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphorylmethyl}-phosphonic acid mono-[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-ethyl] ester · ligand · 2 copies · chains A, B
• K · Potassium ion · metal · 2 copies · chains A, B
• UNK · Unknown · ion · 11 copies · chains B

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

Pockets

15 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 383 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

• 1NF7 · Ternary complex of the human type II Inosine Monophosphate Dedhydrogenase with Ribavirin… · the same entry in another collection · chain A against A, TM-score 1.00
• P12268 · AlphaFold monomer V2.0 prediction for inosine-5'-monophosphate dehydrogenase 2 (P12268) · a predicted model of the same protein · chain B against A, TM-score 0.87

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 P12268
• Elsewhere: RCSB PDB 1NF7 · PDBe 1NF7 · UniProt P12268