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Structure of Complex of Synthetic HIV-1 Protease with a Substrate-Based Inhibitor at 2.3 Å Resolution

Miller, M. and Schneider, J. and Sathyanarayana, Bangalore K. and Toth, Mihaly V. and Marshall, Garland R. and Clawson, Leigh and Selk, Linda and Kent, Stephen B. H. and Wlodawer, Alexander (1989) Structure of Complex of Synthetic HIV-1 Protease with a Substrate-Based Inhibitor at 2.3 Å Resolution. Science, 246 (4934). pp. 1149-1152. ISSN 0036-8075. doi:10.1126/science.2686029.

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The structure of a complex between a peptide inhibitor with the sequence N-aceti-Thr-Ile-Nle-t[CH2-NH]-Nle-ψ[CH_2-NH]Nel-Gln-Arg.amide (Nle,norleucine) with chemically synthesized HIV-1 (human immunodeficiency virus 1) protease was determined at 2.3 Å resolution (R factor of 0.176). Despite the symmetric nature of the unliganded enzyme, the asymmetric inhibitor lies in a single orientation and makes extensive interactions at the interface between the two subunits of the homodimeric protein. Compared with the unliganded enzyme, the protein molecule underwent substancial changes, particularly in an extended region corresponding to the "flaps"(residues 35 to 57 in each chain), where backbone movements as large as 7 Å are observed.

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Additional Information:© 1989 American Association for the Advancement of Science. 27 September 1989; accepted 20 October 1989. We thank M. Jaskόlski for advice in the initials tages of this project, D. Davies for providing us with standard groups for least-squares refinement, and L. Palmer for critical reading of the manuscript and checking of some data. The Advanced Scientific Computing Laboratory, FCRF, provided a substantial allocation of time on their CRAY X-MP supercomputer. Research sponsored in part by the National Cancer Institute, DHHS, under contract N01-C0-74101 with BRI, in part by funds from the NSF Biological Instrumentation Division to S.B.H.K., by NIH grants SM-24483 and A-127302, and by Monsanto grant 44353K to G.R.M. The contents of this publication do not necessarily reflect the views or policies of the Department of Health and Human Services, nor does mention of trade names, commercial products, or organizations imply endorsement by the U.S. government.
Funding AgencyGrant Number
National Cancer InstituteN01-C0-74101
Issue or Number:4934
Record Number:CaltechAUTHORS:20150123-103449269
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Official Citation:Structure of Complex of Synthetic HIV-1 Protease with a Substrate-Based Inhibitor at 2.3 Å Resolution Maria Miller, Jens Schneider, Bangalore K. Sathyanarayana, Mihaly V. Toth, Garland R. Marshall, Leigh Clawson, Linda Selk, Stephen B. H. Kent and Alexander Wlodawer Science New Series, Vol. 246, No. 4934 (Dec. 1, 1989), pp. 1149-1152
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:54017
Deposited By: Ruth Sustaita
Deposited On:23 Jan 2015 19:12
Last Modified:10 Nov 2021 20:26

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