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
