1ajv
From Proteopedia
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|SITE= | |SITE= | ||
|LIGAND= <scene name='pdbligand=NMB:2,7-DIBENZYL-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-[1,2,7]THIADIAZEPANE-4,5-DIOL'>NMB</scene> | |LIGAND= <scene name='pdbligand=NMB:2,7-DIBENZYL-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-[1,2,7]THIADIAZEPANE-4,5-DIOL'>NMB</scene> | ||
| - | |ACTIVITY= [http://en.wikipedia.org/wiki/HIV-1_retropepsin HIV-1 retropepsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.16 3.4.23.16] | + | |ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/HIV-1_retropepsin HIV-1 retropepsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.16 3.4.23.16] </span> |
|GENE= PROTEASE ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id= Human immunodeficiency virus type 1 (isolate 12)]) | |GENE= PROTEASE ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id= Human immunodeficiency virus type 1 (isolate 12)]) | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY= | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1ajv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ajv OCA], [http://www.ebi.ac.uk/pdbsum/1ajv PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1ajv RCSB]</span> | ||
}} | }} | ||
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[[Category: Backbro, K.]] | [[Category: Backbro, K.]] | ||
[[Category: Unge, T.]] | [[Category: Unge, T.]] | ||
| - | [[Category: NMB]] | ||
[[Category: aspartyl protease]] | [[Category: aspartyl protease]] | ||
[[Category: drug design]] | [[Category: drug design]] | ||
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[[Category: protease]] | [[Category: protease]] | ||
| - | ''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 18:41:51 2008'' |
Revision as of 15:41, 30 March 2008
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| , resolution 2.00Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | |||||||
| Gene: | PROTEASE (Human immunodeficiency virus type 1 (isolate 12)) | ||||||
| Activity: | HIV-1 retropepsin, with EC number 3.4.23.16 | ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
HIV-1 PROTEASE IN COMPLEX WITH THE CYCLIC SULFAMIDE INHIBITOR AHA006
Overview
Two cyclic, C2-symmetric HIV-1 protease inhibitors, one sulfamide and one urea derivative, both comprising phenyl ether groups in the P1/P1' positions, were cocrystallized with HIV-1 protease, and the crystal structures were determined to 2.0 A resolution. The structure of the urea 2 showed a conformation similar to that reported for the related urea 3 by Lam et al., while the sulfamide 1 adopted an unanticipated conformation in which the P1' and P2' side chains were transposed.
About this Structure
1AJV is a Single protein structure of sequence from Human immunodeficiency virus type 1 (isolate 12). Full crystallographic information is available from OCA.
Reference
Unexpected binding mode of a cyclic sulfamide HIV-1 protease inhibitor., Backbro K, Lowgren S, Osterlund K, Atepo J, Unge T, Hulten J, Bonham NM, Schaal W, Karlen A, Hallberg A, J Med Chem. 1997 Mar 14;40(6):898-902. PMID:9083478
Page seeded by OCA on Sun Mar 30 18:41:51 2008
