Human octameric paics in complex with cair and saicar

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 26% strand (DSSP).

Ligands and binding sites

• C2R · 5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid · ligand · 3 copies · chains A, B
• OK8 · (2~{S})-2-[[5-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car bonylamino]butanedioic acid · ligand · chains A
• EDO · 1,2-ethanediol · additive · 10 copies · chains A, B
• IMD · Imidazole · additive · 2 copies · chains A, B

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

Pockets

11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 1979 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

• 6YB8 · Human octameric PAICS in complex with CAIR and SAICAR · the same entry in another collection · chain A against A, TM-score 1.00
• P22234 · AlphaFold monomer V2.0 prediction for multifunctional protein ADE2 (P22234) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P22234
• Elsewhere: RCSB PDB 6YB8 · PDBe 6YB8 · UniProt P22234