1a5v
From Proteopedia
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==Overview== | ==Overview== | ||
| - | The x-ray structures of an inhibitor complex of the catalytic core domain, of avian sarcoma virus integrase (ASV IN) were solved at 1.9- to 2.0-A, resolution at two pH values, with and without Mn2+ cations. This inhibitor, (Y-3), originally identified in a screen for inhibitors of the catalytic, activity of HIV type 1 integrase (HIV-1 IN), was found in the present, study to be active against ASV IN as well as HIV-1 IN. The Y-3 molecule is, located in close proximity to the enzyme active site, interacts with the, flexible loop, alters loop conformation, and affects the conformations of, active site residues. As crystallized, a Y-3 molecule stacks against its, symmetry-related mate. Preincubation of IN with metal cations does not, prevent inhibition, and Y-3 binding does not prevent binding ... | + | The x-ray structures of an inhibitor complex of the catalytic core domain, of avian sarcoma virus integrase (ASV IN) were solved at 1.9- to 2.0-A, resolution at two pH values, with and without Mn2+ cations. This inhibitor, (Y-3), originally identified in a screen for inhibitors of the catalytic, activity of HIV type 1 integrase (HIV-1 IN), was found in the present, study to be active against ASV IN as well as HIV-1 IN. The Y-3 molecule is, located in close proximity to the enzyme active site, interacts with the, flexible loop, alters loop conformation, and affects the conformations of, active site residues. As crystallized, a Y-3 molecule stacks against its, symmetry-related mate. Preincubation of IN with metal cations does not, prevent inhibition, and Y-3 binding does not prevent binding of divalent, cations to IN. Three compounds chemically related to Y-3 also were, investigated, but no binding was observed in the crystals. Our results, identify the structural elements of the inhibitor that likely determine, its binding properties. |
==About this Structure== | ==About this Structure== | ||
| - | 1A5V is a | + | 1A5V is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Rous_sarcoma_virus Rous sarcoma virus] with MN and Y3 as [http://en.wikipedia.org/wiki/ligands ligands]. 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] Structure known Active Site: ACT. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1A5V OCA]. |
==Reference== | ==Reference== | ||
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[[Category: hydrolase]] | [[Category: hydrolase]] | ||
| - | ''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Mon Nov 5 14:37:35 2007'' |
Revision as of 12:32, 5 November 2007
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ASV INTEGRASE CORE DOMAIN WITH HIV-1 INTEGRASE INHIBITOR Y3 AND MN CATION
Overview
The x-ray structures of an inhibitor complex of the catalytic core domain, of avian sarcoma virus integrase (ASV IN) were solved at 1.9- to 2.0-A, resolution at two pH values, with and without Mn2+ cations. This inhibitor, (Y-3), originally identified in a screen for inhibitors of the catalytic, activity of HIV type 1 integrase (HIV-1 IN), was found in the present, study to be active against ASV IN as well as HIV-1 IN. The Y-3 molecule is, located in close proximity to the enzyme active site, interacts with the, flexible loop, alters loop conformation, and affects the conformations of, active site residues. As crystallized, a Y-3 molecule stacks against its, symmetry-related mate. Preincubation of IN with metal cations does not, prevent inhibition, and Y-3 binding does not prevent binding of divalent, cations to IN. Three compounds chemically related to Y-3 also were, investigated, but no binding was observed in the crystals. Our results, identify the structural elements of the inhibitor that likely determine, its binding properties.
About this Structure
1A5V is a Single protein structure of sequence from Rous sarcoma virus with MN and Y3 as ligands. Active as RNA-directed DNA polymerase, with EC number 2.7.7.49 Structure known Active Site: ACT. Full crystallographic information is available from OCA.
Reference
Structure of the catalytic domain of avian sarcoma virus integrase with a bound HIV-1 integrase-targeted inhibitor., Lubkowski J, Yang F, Alexandratos J, Wlodawer A, Zhao H, Burke TR Jr, Neamati N, Pommier Y, Merkel G, Skalka AM, Proc Natl Acad Sci U S A. 1998 Apr 28;95(9):4831-6. PMID:9560188
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