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Structure paper

TitleStructural milestones in the reaction pathway of an amide hydrolase: substrate, acyl, and product complexes of cephalothin with AmpC beta-lactamase.
Journal, issue, pagesStructure, Vol. 10, Page 413-424, Year 2002
Publish dateJan 27, 2002 (structure data deposition date)
AuthorsBeadle, B.M. / Trehan, I. / Focia, P.J. / Shoichet, B.K.
External linksStructure / PubMed:12005439
MethodsX-ray diffraction
Resolution1.53 - 2.06 Å
Structure data

PDB-1kvl:
X-ray Crystal Structure of AmpC S64G Mutant beta-Lactamase in Complex with Substrate and Product Forms of Cephalothin
Method: X-RAY DIFFRACTION / Resolution: 1.53 Å

PDB-1kvm:
X-ray Crystal Structure of AmpC WT beta-Lactamase in Complex with Covalently Bound Cephalothin
Method: X-RAY DIFFRACTION / Resolution: 2.06 Å

Chemicals

ChemComp-PO4:
PHOSPHATE ION

ChemComp-KCP:
2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)-METHYL]-5-METHYL-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID

ChemComp-CLS:
CEPHALOTHIN / antibiotic*YM

ChemComp-THN:
2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)-METHYL]-5-METHYLENE-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID

ChemComp-HOH:
WATER

ChemComp-CEO:
5-METHYLENE-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID

Source
  • escherichia coli (E. coli)
KeywordsHYDROLASE / amide hydrolase / beta-lactamase / cephalothin / substrate-enzyme complex / product-enzyme complex / acyl-enzyme complex

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