1rt1
From Proteopedia
(New page: 200px<br /> <applet load="1rt1" size="450" color="white" frame="true" align="right" spinBox="true" caption="1rt1, resolution 2.55Å" /> '''CRYSTAL STRUCTURE O...) |
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caption="1rt1, resolution 2.55Å" /> | caption="1rt1, resolution 2.55Å" /> | ||
'''CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH MKC-442'''<br /> | '''CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH MKC-442'''<br /> | ||
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==About this Structure== | ==About this Structure== | ||
| - | 1RT1 is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Human_immunodeficiency_virus_1 Human immunodeficiency virus 1] with MKC as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [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] Full crystallographic information is available from [http:// | + | 1RT1 is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Human_immunodeficiency_virus_1 Human immunodeficiency virus 1] with <scene name='pdbligand=MKC:'>MKC</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [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] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1RT1 OCA]. |
==Reference== | ==Reference== | ||
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[[Category: nucleotidyltransferase]] | [[Category: nucleotidyltransferase]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri Feb 15 16:49:31 2008'' |
Revision as of 14:49, 15 February 2008
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH MKC-442
Overview
Crystal structures of HIV-1 reverse transcriptase (RT) complexed with a, range of chemically diverse non-nucleoside inhibitors (NNIs) have shown a, single pocket in which the inhibitors bind and details of the, inhibitor-protein interactions. To delineate the structural requirements, for an effective inhibitor, we have determined the structures of three, closely related NNIs which vary widely in their potencies. Crystal, structures of HIV-1 RT complexed with two very potent inhibitors, MKC-442, and TNK-651, at 2.55 angstroms resolution complement our previous analysis, of the complex with the less effective inhibitor, HEPT. These structures, reveal conformational changes which correlate with changes in potency. We, suggest that a major determinant of increased potency in the analogues of, HEPT is an improved interaction between residue Tyr181 in the protein and, the 6-benzyl ring of the inhibitors which stabilizes the structure of the, complex. This arises through a conformational switching of the protein, structure triggered by the steric bulk of the 5-substituent of the, inhibitor pyrimidine ring.
About this Structure
1RT1 is a Protein complex structure of sequences from Human immunodeficiency virus 1 with as ligand. Active as RNA-directed DNA polymerase, with EC number 2.7.7.49 Full crystallographic information is available from OCA.
Reference
Complexes of HIV-1 reverse transcriptase with inhibitors of the HEPT series reveal conformational changes relevant to the design of potent non-nucleoside inhibitors., Hopkins AL, Ren J, Esnouf RM, Willcox BE, Jones EY, Ross C, Miyasaka T, Walker RT, Tanaka H, Stammers DK, Stuart DI, J Med Chem. 1996 Apr 12;39(8):1589-600. PMID:8648598
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