1l2s

From Proteopedia

(Difference between revisions)
Jump to: navigation, search
Line 1: Line 1:
-
[[Image:1l2s.jpg|left|200px]]
+
{{Seed}}
 +
[[Image:1l2s.png|left|200px]]
<!--
<!--
Line 9: Line 10:
{{STRUCTURE_1l2s| PDB=1l2s | SCENE= }}
{{STRUCTURE_1l2s| PDB=1l2s | SCENE= }}
-
'''X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with a DOCK-predicted non-covalent inhibitor'''
+
===X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with a DOCK-predicted non-covalent inhibitor===
-
==Overview==
+
<!--
-
beta-lactamases are the most widespread resistance mechanisms to beta-lactam antibiotics, and there is a pressing need for novel, non-beta-lactam drugs. A database of over 200,000 compounds was docked to the active site of AmpC beta-lactamase to identify potential inhibitors. Fifty-six compounds were tested, and three had K(i) values of 650 microM or better. The best of these, 3-[(4-chloroanilino)sulfonyl]thiophene-2-carboxylic acid, was a competitive noncovalent inhibitor (K(i) = 26 microM), which also reversed resistance to beta-lactams in bacteria expressing AmpC. The structure of AmpC in complex with this compound was determined by X-ray crystallography to 1.94 A and reveals that the inhibitor interacts with key active-site residues in sites targeted in the docking calculation. Indeed, the experimentally determined conformation of the inhibitor closely resembles the prediction. The structure of the enzyme-inhibitor complex presents an opportunity to improve binding affinity in a novel series of inhibitors discovered by structure-based methods.
+
The line below this paragraph, {{ABSTRACT_PUBMED_12121656}}, adds the Publication Abstract to the page
 +
(as it appears on PubMed at http://www.pubmed.gov), where 12121656 is the PubMed ID number.
 +
-->
 +
{{ABSTRACT_PUBMED_12121656}}
==About this Structure==
==About this Structure==
Line 28: Line 32:
[[Category: Beta-lactamase/inhibitor complex]]
[[Category: Beta-lactamase/inhibitor complex]]
[[Category: Cephalosporinase]]
[[Category: Cephalosporinase]]
-
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 23:28:36 2008''
+
 
 +
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jul 2 11:34:29 2008''

Revision as of 08:34, 2 July 2008

Image:1l2s.png

Template:STRUCTURE 1l2s

X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with a DOCK-predicted non-covalent inhibitor

Template:ABSTRACT PUBMED 12121656

About this Structure

1L2S is a Single protein structure of sequence from Escherichia coli. Full crystallographic information is available from OCA.

Reference

Structure-based discovery of a novel, noncovalent inhibitor of AmpC beta-lactamase., Powers RA, Morandi F, Shoichet BK, Structure. 2002 Jul;10(7):1013-23. PMID:12121656

Page seeded by OCA on Wed Jul 2 11:34:29 2008

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/1l2s"
Personal tools