Crystal structure of inactive HIV-1 protease in complex with the P1-P6 substrate variant (S451N)

Structure

x-ray diffraction · 2 distinct chains · 4% helix, 51% strand (DSSP).

Ligands and binding sites

• EDO · 1,2-ethanediol · additive · 6 copies · chains A, B, C
• GOL · Glycerol · additive · 3 copies · chains A, B
• ACT · Acetate ion · additive · 3 copies · chains A, B

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

Interfaces

3 interfaces between chains.

• A–B · 1836 Ų buried · 39 hydrogen bonds · protein-protein
• A–C · 608 Ų buried · 12 hydrogen bonds · protein-protein
• B–C · 505 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

• 4OBJ · Crystal Structure of Inactive HIV-1 Protease in Complex with the p1-p6 substrate variant… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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• Elsewhere: RCSB PDB 4OBJ · PDBe 4OBJ · UniProt P03369 · UniProt P03349