Hkatii in complex with ligand (2R)-N-benzyl-1-[6-methyl-5-(oxan-4-yl)- 7-oxo-6H,7H-[1,3]THIAZOLO[5,4-D]PYRIMIDIN-2-YL]PYRROLIDINE-2- carboxamide

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 15% strand (DSSP).

Ligands and binding sites

• MVQ · (2~{R})-1-[6-methyl-5-(oxan-4-yl)-7-oxidanylidene-[1, 3]thiazolo[5,4-d]pyrimidin-2-yl]-~{N}-(phenylmethyl) pyrrolidine-2-carboxamide · ligand · chains A
• CD · Cadmium ion · metal · 8 copies · chains A
• CL · Chloride ion · ion · chains A
• ACT · Acetate ion · additive · chains A

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

Pockets

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

Modifications

Observed in the structure: 1 modified (cofactor).

Compared structures

• 6T8Q · HKATII IN COMPLEX WITH LIGAND (2R)-N-benzyl-1-[6-methyl-5-(oxan-4-yl)-7-oxo-6H,7H-[1,3]thi… · the same entry in another collection · chain A against A, TM-score 1.00
• Q8N5Z0 · AlphaFold monomer V2.0 prediction for KYNURENINE/ALPHA-aminoadipate aminotransferase… · 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 Q8N5Z0
• Elsewhere: RCSB PDB 6T8Q · PDBe 6T8Q · UniProt Q8N5Z0