1c0t
From Proteopedia
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| - | [[Image:1c0t.gif|left|200px]] | + | [[Image:1c0t.gif|left|200px]] |
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| - | '''CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH BM+21.1326''' | + | {{Structure |
| + | |PDB= 1c0t |SIZE=350|CAPTION= <scene name='initialview01'>1c0t</scene>, resolution 2.7Å | ||
| + | |SITE= | ||
| + | |LIGAND= <scene name='pdbligand=BM1:(R)-(+)9B-(3-METHYL)PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-5(9BH)-ONE'>BM1</scene> | ||
| + | |ACTIVITY= [http://en.wikipedia.org/wiki/RNA-directed_DNA_polymerase RNA-directed DNA polymerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.7.49 2.7.7.49] | ||
| + | |GENE= | ||
| + | }} | ||
| + | |||
| + | '''CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH BM+21.1326''' | ||
| + | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
| - | 1C0T is a [ | + | 1C0T is a [[Protein complex]] structure of sequences from [http://en.wikipedia.org/wiki/Human_immunodeficiency_virus_1 Human immunodeficiency virus 1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1C0T OCA]. |
==Reference== | ==Reference== | ||
| - | Crystallographic analysis of the binding modes of thiazoloisoindolinone non-nucleoside inhibitors to HIV-1 reverse transcriptase and comparison with modeling studies., Ren J, Esnouf RM, Hopkins AL, Stuart DI, Stammers DK, J Med Chem. 1999 Sep 23;42(19):3845-51. PMID:[http:// | + | Crystallographic analysis of the binding modes of thiazoloisoindolinone non-nucleoside inhibitors to HIV-1 reverse transcriptase and comparison with modeling studies., Ren J, Esnouf RM, Hopkins AL, Stuart DI, Stammers DK, J Med Chem. 1999 Sep 23;42(19):3845-51. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/10508433 10508433] |
[[Category: Human immunodeficiency virus 1]] | [[Category: Human immunodeficiency virus 1]] | ||
[[Category: Protein complex]] | [[Category: Protein complex]] | ||
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[[Category: Stuart, D I.]] | [[Category: Stuart, D I.]] | ||
[[Category: BM1]] | [[Category: BM1]] | ||
| - | [[Category: | + | [[Category: aid]] |
[[Category: drug design]] | [[Category: drug design]] | ||
[[Category: hiv-1 reverse transcriptase]] | [[Category: hiv-1 reverse transcriptase]] | ||
[[Category: non-nucleoside inhibitor]] | [[Category: non-nucleoside inhibitor]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 10:18:22 2008'' |
Revision as of 08:18, 20 March 2008
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| , resolution 2.7Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | |||||||
| Activity: | RNA-directed DNA polymerase, with EC number 2.7.7.49 | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH BM+21.1326
Overview
We have determined the crystal structures of thiazoloisoindolinone non-nucleoside inhibitors in complex with HIV-1 reverse transcriptase to high-resolution limits of 2.7 A (BM +21.1326) and 2. 52 A (BM +50.0934). We find that the binding modes of this series of inhibitors closely resemble that of "two-ring" non-nucleoside reverse transcriptase inhibitors. The structures allow rationalization of stereochemical requirements, structure-activity data, and drug resistance data. Comparisons with our previous structures suggest modifications to the inhibitors that might improve resilience to drug-resistant mutant forms of reverse transcriptase. Comparison with earlier modeling studies reveals that the predicted overlap of thiazoloisoindolinones with TIBO was largely correct, while that with nevirapine was significantly different.
About this Structure
1C0T is a Protein complex structure of sequences from Human immunodeficiency virus 1. Full crystallographic information is available from OCA.
Reference
Crystallographic analysis of the binding modes of thiazoloisoindolinone non-nucleoside inhibitors to HIV-1 reverse transcriptase and comparison with modeling studies., Ren J, Esnouf RM, Hopkins AL, Stuart DI, Stammers DK, J Med Chem. 1999 Sep 23;42(19):3845-51. PMID:10508433
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