Crystal structure of the complex of mutant HIV-1 protease (L63P, A71V, V82T, I84V) with a hydroxyethylamine peptidomimetic inhibitor boc- phe-PSI[R-CH(OH)CH2NH]-phe-glu-phe-NH2

Structure

x-ray diffraction · 1 distinct chain · 7% helix, 55% strand (DSSP).

Ligands and binding sites

• 0ZS · N-{(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-L-phenylalanyl-L-alpha-glutamyl-L-phenylalaninamide · ligand · chains A, B
• SO4 · Sulfate ion · ion · chains A

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 1841 Ų buried · 36 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (artifact).

Compared structures

• 1Z8C · Crystal structure of the complex of mutant HIV-1 protease (l63P, A71V, V82T, I84V) with a… · the same entry in another collection · chain A against A, 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 P03367
• Elsewhere: RCSB PDB 1Z8C · PDBe 1Z8C · UniProt P03367