TAILIEUCHUNG - Báo cáo khoa học: Adaptability and flexibility of HIV-1 protease

Even though more than 200 three-dimensional structures of HIV-1 protease complexed to a variety of inhibitors are available in the Protein Data Bank; very few struc-tures of unliganded protein have been determined. We have recently solved structures of unliganded HIV-1 protease tethered dimer mutants to resolutions of A˚ and A ˚ , and have found that the flaps assume closed-flap conformation even in the absence of any bound lig-and. | Eur. J. Biochem. 270 1231-1239 2003 FEBS 2003 doi Adaptability and flexibility of HIV-1 protease Mukesh Kumar and Madhusoodan V. Hosur Solid State Physics Division Bhabha Atomic Research Centre Mumbai India Even though more than 200 three-dimensional structures of HIV-1 protease complexed to a variety of inhibitors are available in the Protein Data Bank very few structures of unliganded protein have been determined. We have recently solved structures of unliganded HIV-1 protease tethered dimer mutants to resolutions of JI and A and have found that the flaps assume closed-flap conformation even in the absence of any bound ligand. We report comparison of the unliganded closed-flap structure with structures of HIV-1 protease inhibitor complexes with a view to accurately identifying structural changes that the ligand can induce on binding to HIV-1 protease in the crystal. These studies reveal that the least flexible region present in the active site of HIV-1 protease need not also be the least adaptable to external stress thus highlighting the conceptual difference between flexibility and adaptability of proteins in general. Keywords adaptability flexibility HIV-1 protease inhibitors structure. The significance of human immunodeficiency virus type 1 HIV-1 protease in the life cycle of HIV has made it a prime therapeutic target for the development of anti-HIV drugs. This has resulted in the determination of a large number of structures of identical or closely related sequences with different ligands by X-ray NMR and theoretical molecular modelling approaches. To date a total of 213 such structures are available from the Protein Data Bank PDB 1 and HIV-protease database http HIVdb . In spite of such a large number of studies on a single system consisting of closely related sequences we still lack the proper understanding to tackle the problem of drug resistance mutations a typical characteristic associated with .

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