Plasmodium vivax shmt bound with plp-glycine and S-GS849

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 13% strand (DSSP).

Ligands and binding sites

• PLG · N-glycine-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-yl-methane] · ligand · 3 copies · chains A, B, C
• 8UF · 2-[1-[(3~{S})-6'-azanyl-5'-cyano-7-fluoranyl-2,2,3'-trimethyl-spiro[1~{H}-indene-3,4'-2~{H}-pyrano[2,3-c]pyrazole]-5-yl]piperidin-4-yl]ethanoic acid · ligand · 3 copies · chains A, B, C
• CL · Chloride ion · ion · 2 copies · chains A, B, C
• GOL · Glycerol · additive · 3 copies · chains A, B, C

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

Pockets

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

Interfaces

2 interfaces between chains.

• A–B · 4699 Ų buried · 64 hydrogen bonds · protein-protein
• B–C · 401 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

• 5YG4 · Plasmodium vivax SHMT bound with PLP-glycine and S-GS849 · the same entry in another collection · chain B against B, 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 A0A1G4H5I1
• Elsewhere: RCSB PDB 5YG4 · PDBe 5YG4 · UniProt A0A1G4H5I1