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| {{STRUCTURE_2ops| PDB=2ops | SCENE= }} | | {{STRUCTURE_2ops| PDB=2ops | SCENE= }} |
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| '''Crystal Structure of Y188C Mutant HIV-1 Reverse Transcriptase in Complex with GW420867X.'''
| | ===Crystal Structure of Y188C Mutant HIV-1 Reverse Transcriptase in Complex with GW420867X.=== |
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| ==Overview==
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| The selection of drug resistant viruses is a major problem in efforts to combat HIV and AIDS, hence, new compounds are required. We report crystal structures of wild-type and mutant HIV-1 RT with bound non-nucleoside (NNRTI) GW420867X, aimed at investigating the basis for its high potency and improved drug resistance profile compared to the first-generation drug nevirapine. GW420867X occupies a smaller volume than many NNRTIs, yet accesses key regions of the binding pocket. GW420867X has few contacts with Tyr188, hence, explaining the small effect of mutating this residue on inhibitor-binding potency. In a mutated NNRTI pocket, GW420867X either remains in a similar position compared to wild-type (RT(Leu100Ile) and RT(Tyr188Cys)) or rearranges within the pocket (RT(Lys101Glu)). For RT(Leu100Ile), GW420867X does not shift position, in spite of forming different side-chain contacts. The small bulk of GW420867X allows adaptation to a mutated NNRTI binding site by repositioning or readjustment of side-chain contacts with only small reductions in binding affinity. | | The line below this paragraph, {{ABSTRACT_PUBMED_17441703}}, adds the Publication Abstract to the page |
| | (as it appears on PubMed at http://www.pubmed.gov), where 17441703 is the PubMed ID number. |
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| | {{ABSTRACT_PUBMED_17441703}} |
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| ==About this Structure== | | ==About this Structure== |
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| [[Category: Hiv-1 reverse transcriptase]] | | [[Category: Hiv-1 reverse transcriptase]] |
| [[Category: Nnrti]] | | [[Category: Nnrti]] |
| ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 11:24:25 2008'' | | |
| | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 15:44:00 2008'' |
