1s17
From Proteopedia
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|PDB= 1s17 |SIZE=350|CAPTION= <scene name='initialview01'>1s17</scene>, resolution 1.95Å | |PDB= 1s17 |SIZE=350|CAPTION= <scene name='initialview01'>1s17</scene>, resolution 1.95Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= | + | |LIGAND= <scene name='pdbligand=GNR:2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN-2-YL)-N-HYDROXYACETAMIDE'>GNR</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NI:NICKEL+(II)+ION'>NI</scene> |
| - | |ACTIVITY= [http://en.wikipedia.org/wiki/Peptide_deformylase Peptide deformylase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.1.88 3.5.1.88] | + | |ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Peptide_deformylase Peptide deformylase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.1.88 3.5.1.88] </span> |
|GENE= DEF, PA0019 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=287 Pseudomonas aeruginosa]) | |GENE= DEF, PA0019 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=287 Pseudomonas aeruginosa]) | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY=[[1n5n|1N5N]], [[1ix1|1IX1]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1s17 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1s17 OCA], [http://www.ebi.ac.uk/pdbsum/1s17 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1s17 RCSB]</span> | ||
}} | }} | ||
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[[Category: Ryder, N S.]] | [[Category: Ryder, N S.]] | ||
[[Category: Yang, K.]] | [[Category: Yang, K.]] | ||
| - | [[Category: GNR]] | ||
| - | [[Category: GOL]] | ||
| - | [[Category: NI]] | ||
[[Category: antibiotic]] | [[Category: antibiotic]] | ||
[[Category: peptide deformylase inhibitor]] | [[Category: peptide deformylase inhibitor]] | ||
| Line 41: | Line 41: | ||
[[Category: rational drug design]] | [[Category: rational drug design]] | ||
| - | ''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 23:35:54 2008'' |
Revision as of 20:35, 30 March 2008
| |||||||
| , resolution 1.95Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , , | ||||||
| Gene: | DEF, PA0019 (Pseudomonas aeruginosa) | ||||||
| Activity: | Peptide deformylase, with EC number 3.5.1.88 | ||||||
| Related: | 1N5N, 1IX1
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Identification of Novel Potent Bicyclic Peptide Deformylase Inhibitors
Overview
Screening of our compound collection using Staphylococcus aureus Ni-Peptide deformylase (PDF) afforded a very potent PDF inhibitor with an IC(50) in the low nanomolar range but with poor antibacterial activity (MIC). Three-dimensional structural information obtained from Pseudomonas aeruginosa Ni-PDF complexed with the inhibitor suggested the synthesis of a variety of analogues that would maintain high binding affinity while attempting to improve antibacterial activity. Many of the compounds synthesized proved to be excellent PDF-Ni inhibitors and some showed increased antibacterial activity in selected strains.
About this Structure
1S17 is a Single protein structure of sequence from Pseudomonas aeruginosa. Full crystallographic information is available from OCA.
Reference
Identification of novel potent bicyclic peptide deformylase inhibitors., Molteni V, He X, Nabakka J, Yang K, Kreusch A, Gordon P, Bursulaya B, Warner I, Shin T, Biorac T, Ryder NS, Goldberg R, Doughty J, He Y, Bioorg Med Chem Lett. 2004 Mar 22;14(6):1477-81. PMID:15006385
Page seeded by OCA on Sun Mar 30 23:35:54 2008
