Crystal structure of escherichia COLI hppk in complex with bisubstrate inhibitor hp-75

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 28% strand (DSSP).

Ligands and binding sites

• J1L · 5'-{[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]sulfonyl}-5'-deoxyadenosine · ligand · chains A
• CL · Chloride ion · ion · chains A
• EDO · 1,2-ethanediol · additive · 2 copies · chains A

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

Pockets

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

Compared structures

• 7KDR · Crystal structure of Escherichia coli HPPK in complex with bisubstrate inhibitor HP-75 · the same entry in another collection · chain A against A, TM-score 1.00
• P26281 · AlphaFold monomer V2.0 prediction for 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine… · a predicted model of the same protein · chain A against A, TM-score 0.96

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 P26281
• Elsewhere: RCSB PDB 7KDR · PDBe 7KDR · UniProt P26281