HIV-1 protease complexed with Macrocyclic peptidomimetic inhibitor 2

2-(11-{2-[BENZENESULFONYL-(3-METHYL-BUTYL)-AMINO]-1-HYDROXY-ETHYL}-6,9-DIOXO-2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA-1(16),13(17),14-TRIEN-8-YL)-ACETAMIDE; INHIBITOR 2

Molecular recognition of macrocyclic peptidomimetic inhibitors by HIV-1 protease

PQITLWKRPLVTIRIGGQLKEALLDTGADDTVIEEMNLPGKWKPKMIGGIGGFIKVRQYDQIPVEI(ABA)GHKAIGTVL
VGPTPVNIIGRNLLTQIG(ABA)TLNF

PQITLWKRPLVTIRIGGQLKEALLDTGADDTVIEEMNLPGKWKPKMIGGIGGFIKVRQYDQIPVEIAGHKAIGTVLVGPT
PVNIIGRNLLTQIGATLNF

30-60% ammonium sulfate, 0.1M acetate buffer, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

chemically synthesised by solid phase peptide synthesis

anisotropic, with bulk solvent correction

the biological unit is a homodimer.
The two molecules in the asymmetric unit represent the biological assembly

macrocyclic inhibitors, peptidomimetic inhibitors, HIV1 protease, hydrolase

PQITLWQRPLVTIRIGGQLKEALLDTGADDTVLEEMNLPGKWKPKMIGGIGGFIKVRQYDQIPVEICGHKAIGTVLVGPT
PVNIIGRNLLTQIGCTLNF