This old version of Proteopedia is provided for student assignments while the new version is undergoing repairs. Content and edits done in this old version of Proteopedia after March 1, 2026 will eventually be lost when it is retired in about June of 2026.
Apply for new accounts at the new Proteopedia. Your logins will work in both the old and new versions.
2bqv
From Proteopedia
| Line 4: | Line 4: | ||
|PDB= 2bqv |SIZE=350|CAPTION= <scene name='initialview01'>2bqv</scene>, resolution 2.1Å | |PDB= 2bqv |SIZE=350|CAPTION= <scene name='initialview01'>2bqv</scene>, resolution 2.1Å | ||
|SITE= <scene name='pdbsite=AC1:A1a+Binding+Site+For+Chain+A'>AC1</scene> | |SITE= <scene name='pdbsite=AC1:A1a+Binding+Site+For+Chain+A'>AC1</scene> | ||
| - | |LIGAND= <scene name='pdbligand=A1A:6-AMINO HEXANOIC ACID'>A1A</scene> | + | |LIGAND= <scene name='pdbligand=A1A:6-AMINO+HEXANOIC+ACID'>A1A</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= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY= | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2bqv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bqv OCA], [http://www.ebi.ac.uk/pdbsum/2bqv PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2bqv RCSB]</span> | ||
}} | }} | ||
| Line 30: | Line 33: | ||
[[Category: Unge, T.]] | [[Category: Unge, T.]] | ||
[[Category: Wallberg, H.]] | [[Category: Wallberg, H.]] | ||
| - | [[Category: A1A]] | ||
[[Category: drug design]] | [[Category: drug design]] | ||
[[Category: hiv-1 protease]] | [[Category: hiv-1 protease]] | ||
| Line 36: | Line 38: | ||
[[Category: inhibitor]] | [[Category: inhibitor]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:10:20 2008'' |
Revision as of 23:10, 30 March 2008
| |||||||
| , resolution 2.1Å | |||||||
|---|---|---|---|---|---|---|---|
| Sites: | |||||||
| Ligands: | |||||||
| 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 INHIBITOR AHA455
Overview
Novel HIV-1 protease inhibitors encompassing a tertiary alcohol as part of the transition-state mimicking unit have been synthesized. Variation of the P1'-P3' residues and alteration of the tertiary alcohol absolute stereochemistry afforded 10 inhibitors. High potencies for the compounds with (S)-configuration at the carbon carrying the tertiary hydroxyl group were achieved with Ki values down to 2.4 nM. X-ray crystallographic data for a representative compound in complex with HIV-1 protease are presented.
About this Structure
2BQV is a Single protein structure of sequence from Human immunodeficiency virus 1. Full crystallographic information is available from OCA.
Reference
A new class of HIV-1 protease inhibitors containing a tertiary alcohol in the transition-state mimicking scaffold., Ekegren JK, Unge T, Safa MZ, Wallberg H, Samuelsson B, Hallberg A, J Med Chem. 2005 Dec 15;48(25):8098-102. PMID:16335934
Page seeded by OCA on Mon Mar 31 02:10:20 2008
