HIV protease (pr) dimer in closed form with pepstatin in active site and fragment 1F1 in the OUTSIDE/TOP of flap

Structure

x-ray diffraction · 2 distinct chains · 7% helix, 55% strand (DSSP).

Ligands and binding sites

• IVA · Isovaleric acid · ligand · chains A, C
• 1F1 · 1H-indole-6-carboxylic acid · ligand · chains A
• BME · Beta-mercaptoethanol · additive · 3 copies · chains A, B
• GOL · Glycerol · additive · chains B

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

Interfaces

3 interfaces between chains.

• A–B · 1865 Ų buried · 37 hydrogen bonds · protein-protein
• B–C · 461 Ų buried · 8 hydrogen bonds · protein-protein
• A–C · 436 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 covalent, 2 modified (additive adduct, nonstandard, covalent ligand).

Compared structures

• 4EJD · HIV Protease (PR) dimer in closed form with pepstatin in active site and fragment 1F1 in… · 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 P12499
• Elsewhere: RCSB PDB 4EJD · PDBe 4EJD · UniProt P12499