1ajv

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1ajv, resolution 2.00Å

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HIV-1 PROTEASE IN COMPLEX WITH THE CYCLIC SULFAMIDE INHIBITOR AHA006

Overview

Two cyclic, C2-symmetric HIV-1 protease inhibitors, one sulfamide and one, urea derivative, both comprising phenyl ether groups in the P1/P1', positions, were cocrystallized with HIV-1 protease, and the crystal, structures were determined to 2.0 A resolution. The structure of the urea, 2 showed a conformation similar to that reported for the related urea 3 by, Lam et al., while the sulfamide 1 adopted an unanticipated conformation in, which the P1' and P2' side chains were transposed.

About this Structure

1AJV is a Single protein structure of sequence from Human immunodeficiency virus type 1 (isolate 12) with as ligand. Active as HIV-1 retropepsin, with EC number 3.4.23.16 Full crystallographic information is available from OCA.

Reference

Unexpected binding mode of a cyclic sulfamide HIV-1 protease inhibitor., Backbro K, Lowgren S, Osterlund K, Atepo J, Unge T, Hulten J, Bonham NM, Schaal W, Karlen A, Hallberg A, J Med Chem. 1997 Mar 14;40(6):898-902. PMID:9083478

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