1llb
From Proteopedia
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|PDB= 1llb |SIZE=350|CAPTION= <scene name='initialview01'>1llb</scene>, resolution 1.72Å | |PDB= 1llb |SIZE=350|CAPTION= <scene name='initialview01'>1llb</scene>, resolution 1.72Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= <scene name='pdbligand=PCN:2-{1-[2-(2-AMINO-THIAZOL-4-YL)-2-METHOXYIMINO-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID'>PCN</scene> | + | |LIGAND= <scene name='pdbligand=PCN:2-{1-[2-(2-AMINO-THIAZOL-4-YL)-2-METHOXYIMINO-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC+ACID'>PCN</scene> |
| - | |ACTIVITY= [http://en.wikipedia.org/wiki/Beta-lactamase Beta-lactamase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.2.6 3.5.2.6] | + | |ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Beta-lactamase Beta-lactamase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.2.6 3.5.2.6] </span> |
|GENE= ampC ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=562 Escherichia coli]) | |GENE= ampC ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=562 Escherichia coli]) | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY=[[1ke4|1KE4]], [[1iel|1IEL]], [[1iem|1IEM]], [[1fcn|1FCN]], [[1kvm|1KVM]], [[1fr6|1FR6]], [[1ll9|1LL9]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1llb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1llb OCA], [http://www.ebi.ac.uk/pdbsum/1llb PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1llb RCSB]</span> | ||
}} | }} | ||
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[[Category: Shoichet, B K.]] | [[Category: Shoichet, B K.]] | ||
[[Category: Trehan, I.]] | [[Category: Trehan, I.]] | ||
| - | [[Category: PCN]] | ||
[[Category: beta-lactamase]] | [[Category: beta-lactamase]] | ||
[[Category: cephalosporinase]] | [[Category: cephalosporinase]] | ||
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[[Category: serine]] | [[Category: serine]] | ||
| - | ''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 22:04:13 2008'' |
Revision as of 19:04, 30 March 2008
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| , resolution 1.72Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | |||||||
| Gene: | ampC (Escherichia coli) | ||||||
| Activity: | Beta-lactamase, with EC number 3.5.2.6 | ||||||
| Related: | 1KE4, 1IEL, 1IEM, 1FCN, 1KVM, 1FR6, 1LL9
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Crystal Structure Of AmpC beta-Lactamase From E. Coli In Complex With ATMO-penicillin
Overview
beta-lactamases confer resistance to beta-lactam antibiotics such as penicillins and cephalosporins. However, beta-lactams that form an acyl-intermediate with the enzyme but subsequently are hindered from forming a catalytically competent conformation seem to be inhibitors of beta-lactamases. This inhibition may be imparted by specific groups on the ubiquitous R(1) side chain of beta-lactams, such as the 2-amino-4-thiazolyl methoxyimino (ATMO) group common among third-generation cephalosporins. Using steric hindrance of deacylation as a design guide, penicillin and carbacephem substrates were converted into effective beta-lactamase inhibitors and antiresistance antibiotics. To investigate the structural bases of inhibition, the crystal structures of the acyl-adducts of the penicillin substrate amoxicillin and the new analogous inhibitor ATMO-penicillin were determined. ATMO-penicillin binds in a catalytically incompetent conformation resembling that adopted by third-generation cephalosporins, demonstrating the transferability of such sterically hindered groups in inhibitor design.
About this Structure
1LLB is a Single protein structure of sequence from Escherichia coli. Full crystallographic information is available from OCA.
Reference
Using steric hindrance to design new inhibitors of class C beta-lactamases., Trehan I, Morandi F, Blaszczak LC, Shoichet BK, Chem Biol. 2002 Sep;9(9):971-80. PMID:12323371
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