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1mui
From Proteopedia
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Crystal structure of HIV-1 protease complexed with Lopinavir.
Overview
The crystal structure of ABT-378 (lopinavir), bound to the active site of, HIV-1 protease is described. A comparison with crystal structures of, ritonavir, A-78791, and BILA-2450 shows some analogous features with, previous reported compounds. A cyclic urea unit in the P(2) position of, ABT-378 is novel and makes two bidentate hydrogen bonds with Asp 29 of, HIV-1 protease. In addition, a previously unreported shift in the Gly 48, carbonyl position is observed. A discussion of the structural features, responsible for its high potency against wild-type HIV protease is given, along with an analysis of the effect of active site mutations on potency, in in vitro assays.
About this Structure
1MUI is a Single protein structure of sequence from Human immunodeficiency virus 1 with AB1 as ligand. Active as HIV-1 retropepsin, with EC number 3.4.23.16 Full crystallographic information is available from OCA.
Reference
X-ray crystallographic structure of ABT-378 (lopinavir) bound to HIV-1 protease., Stoll V, Qin W, Stewart KD, Jakob C, Park C, Walter K, Simmer RL, Helfrich R, Bussiere D, Kao J, Kempf D, Sham HL, Norbeck DW, Bioorg Med Chem. 2002 Aug;10(8):2803-6. PMID:12057670
Page seeded by OCA on Thu Nov 8 14:20:46 2007
