2g22: Difference between revisions
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|PDB= 2g22 |SIZE=350|CAPTION= <scene name='initialview01'>2g22</scene>, resolution 2.50Å | |PDB= 2g22 |SIZE=350|CAPTION= <scene name='initialview01'>2g22</scene>, resolution 2.50Å | ||
|SITE= | |SITE= | ||
|LIGAND= | |LIGAND= <scene name='pdbligand=6IG:6-ETHYL-5-[1-(3-METHOXYPROPYL)-1,2,3,4-TETRAHYDROQUINOLIN-7-YL]-N~4~-(2-PHENYLETHYL)PYRIMIDINE-2,4-DIAMINE'>6IG</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene> | ||
|ACTIVITY= [http://en.wikipedia.org/wiki/Renin Renin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.15 3.4.23.15] | |ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Renin Renin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.15 3.4.23.15] </span> | ||
|GENE= REN ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | |GENE= REN ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | ||
|DOMAIN= | |||
|RELATEDENTRY=[[2g1n|2G1N]], [[2g1r|2G1R]], [[2g1o|2G1O]], [[2g1s|2G1S]], [[2g20|2G20]], [[2g21|2G21]], [[2g1y|2G1Y]], [[2g24|2G24]], [[2g26|2G26]], [[2g27|2G27]] | |||
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2g22 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2g22 OCA], [http://www.ebi.ac.uk/pdbsum/2g22 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2g22 RCSB]</span> | |||
}} | }} | ||
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==Disease== | ==Disease== | ||
Known | Known disease associated with this structure: Renal tubular dysgenesis OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=179820 179820]], Hyperproreninemia OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=179820 179820]] | ||
==About this Structure== | ==About this Structure== | ||
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[[Category: Mcconnella, P.]] | [[Category: Mcconnella, P.]] | ||
[[Category: Zhanga, E.]] | [[Category: Zhanga, E.]] | ||
[[Category: protein-ligand complex]] | [[Category: protein-ligand complex]] | ||
''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 03:10:47 2008'' | ||
Revision as of 03:10, 31 March 2008
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| , resolution 2.50Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , | ||||||
| Gene: | REN (Homo sapiens) | ||||||
| Activity: | Renin, with EC number 3.4.23.15 | ||||||
| Related: | 2G1N, 2G1R, 2G1O, 2G1S, 2G20, 2G21, 2G1Y, 2G24, 2G26, 2G27
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
OverviewOverview
A systematic investigation of the S3 sub-pocket activity requirements was conducted. It was observed that linear and sterically small side chain substituents are preferred in the S3 sub-pocket for optimal renin inhibition. Polar groups in the S3-sub-pocket were not well tolerated and caused a reduction in renin inhibitory activity. Further, compounds with clog P's < or = 3 demonstrated a dramatic reduction in CYP3A4 inhibitory activity.
DiseaseDisease
Known disease associated with this structure: Renal tubular dysgenesis OMIM:[179820], Hyperproreninemia OMIM:[179820]
About this StructureAbout this Structure
2G22 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
ReferenceReference
Ketopiperazine-based renin inhibitors: optimization of the "C" ring., Holsworth DD, Cai C, Cheng XM, Cody WL, Downing DM, Erasga N, Lee C, Powell NA, Edmunds JJ, Stier M, Jalaie M, Zhang E, McConnell P, Ryan MJ, Bryant J, Li T, Kasani A, Hall E, Subedi R, Rahim M, Maiti S, Bioorg Med Chem Lett. 2006 May 1;16(9):2500-4. Epub 2006 Feb 15. PMID:16480874
Page seeded by OCA on Mon Mar 31 03:10:47 2008