2J47

Bacteroides thetaiotaomicron GH84 O-GlcNAcase in complex with a imidazole-pugnac hybrid inhibitor

Summary for 2J47

• Entry DOI: 10.2210/pdb2j47/pdb
• Related: 2CHN 2CHO
• Descriptor: GLUCOSAMINIDASE, (5R,6R,7R,8S)-8-(ACETYLAMINO)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-N-PHENYL-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-2-CARBOXAMIDE, GLYCEROL, ... (4 entities in total)
• Functional Keywords: inhibitor, o-glcnacase, imidazole, gh84, pugnac, enzyme, inhibition
• Biological source: BACTEROIDES THETAIOTAOMICRON
• Total number of polymer chains: 1
• Total formula weight: 82769.57

Authors

Dennis, R.J.,Davies, G.J. (deposition date: 2006-08-25, release date: 2006-10-03, Last modification date: 2023-12-13)

Primary citation

Shanmugasundaram, B.,Debowski, A.W.,Dennis, R.J.,Davies, G.J.,Vocadlo, D.J.,Vasella, A.
Inhibition of O-Glcnacase by a Gluco-Configured Nagstatin and a Pugnac-Imidazole Hybrid Inhibitor
Chem. Commun., 42:4372-, 2006

PubMed Abstract: Synthesis of a PUGNAc-imidazole hybrid and its characterization as an inhibitor of human O-GlcNAcase through enzyme kinetics and X-ray structural analysis.

PubMed: 17057847
DOI: 10.1039/B612154C

Experimental method

X-RAY DIFFRACTION (1.98 Å)