1idb
From Proteopedia
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|PDB= 1idb |SIZE=350|CAPTION= <scene name='initialview01'>1idb</scene>, resolution 2.2Å | |PDB= 1idb |SIZE=350|CAPTION= <scene name='initialview01'>1idb</scene>, resolution 2.2Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= <scene name='pdbligand=DBA:(2,6-DIMETHYL-PHENOXY)-ACETIC+ACID'>DBA</scene> | + | |LIGAND= <scene name='pdbligand=DBA:(2,6-DIMETHYL-PHENOXY)-ACETIC+ACID'>DBA</scene>, <scene name='pdbligand=PPL:PIPERIDINE-2-CARBOXYLIC+ACID+TERT-BUTYLAMIDE'>PPL</scene>, <scene name='pdbligand=PR0:3(S)-AMINO-4-PHENYL-BUTAN-2(R)-OL'>PR0</scene>, <scene name='pdbligand=SPY:4-HYDROSULFONYLPYRIDINE'>SPY</scene> |
|ACTIVITY= | |ACTIVITY= | ||
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY= | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1idb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1idb OCA], [http://www.ebi.ac.uk/pdbsum/1idb PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1idb RCSB]</span> | ||
}} | }} | ||
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==About this Structure== | ==About this Structure== | ||
| - | 1IDB is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/ | + | 1IDB is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Human_immunodeficiency_virus_2 Human immunodeficiency virus 2]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1IDB OCA]. |
==Reference== | ==Reference== | ||
Crystal structures of HIV-2 protease in complex with inhibitors containing the hydroxyethylamine dipeptide isostere., Tong L, Pav S, Mui S, Lamarre D, Yoakim C, Beaulieu P, Anderson PC, Structure. 1995 Jan 15;3(1):33-40. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/7743130 7743130] | Crystal structures of HIV-2 protease in complex with inhibitors containing the hydroxyethylamine dipeptide isostere., Tong L, Pav S, Mui S, Lamarre D, Yoakim C, Beaulieu P, Anderson PC, Structure. 1995 Jan 15;3(1):33-40. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/7743130 7743130] | ||
| - | [[Category: Human immunodeficiency virus | + | [[Category: Human immunodeficiency virus 2]] |
[[Category: Single protein]] | [[Category: Single protein]] | ||
[[Category: Anderson, P C.]] | [[Category: Anderson, P C.]] | ||
[[Category: Tong, L.]] | [[Category: Tong, L.]] | ||
| - | [[Category: DBA]] | ||
| - | [[Category: SPY]] | ||
[[Category: hydrolase(acid proteinase)]] | [[Category: hydrolase(acid proteinase)]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 21:18:15 2008'' |
Revision as of 18:18, 30 March 2008
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| , resolution 2.2Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , , , | ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
CRYSTAL STRUCTURES OF HIV-2 PROTEASE IN COMPLEX WITH INHIBITORS CONTAINING THE HYDROXYETHYLAMINE DIPEPTIDE ISOSTERE
Overview
BACKGROUND: The HIV protease is essential for the life cycle of the virus and is an important target for the development of therapeutic treatments against AIDS. The structures of HIV protease in complex with different inhibitors have helped in understanding the interactions between inhibitors and the protease and in the design and optimization of HIV protease inhibitors. RESULTS: We report here crystal structures at up to 1.7 A resolution of the homodimeric HIV-2 protease in complex with seven inhibitors containing the hydroxyethylamine dipeptide isostere. A novel dimethylphenoxyacetyl group that is present in some of these inhibitors is inserted between residues 48' and 49' in the flap of the protease and residues 29' and 30' (where a prime indicates a residue in the second monomer), which undergo a conformational change to accommodate the phenyl ring of the inhibitor. CONCLUSIONS: This study shows that besides the residues in the flap and residues 79-81 in the S1 substrate-binding pocket which undergo conformational changes upon inhibitor binding, residues 29 and 30 can also adapt their conformation to fit certain inhibitors. Conformational flexibility of the HIV protease plays an important role in inhibitor binding.
About this Structure
1IDB is a Single protein structure of sequence from Human immunodeficiency virus 2. Full crystallographic information is available from OCA.
Reference
Crystal structures of HIV-2 protease in complex with inhibitors containing the hydroxyethylamine dipeptide isostere., Tong L, Pav S, Mui S, Lamarre D, Yoakim C, Beaulieu P, Anderson PC, Structure. 1995 Jan 15;3(1):33-40. PMID:7743130
Page seeded by OCA on Sun Mar 30 21:18:15 2008
