5MI6

BtGH84 mutant with covalent modification by MA3 in complex with Thiamet G

Summary for 5MI6

• Entry DOI: 10.2210/pdb5mi6/pdb
• Descriptor: O-GlcNAcase BT_4395, (3AR,5R,6S,7R,7AR)-2-(ETHYLAMINO)-5-(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL, ~{N}-(4-ethoxyquinazolin-2-yl)propanamide, ... (6 entities in total)
• Functional Keywords: hydrolase, activator
• Biological source: Bacteroides thetaiotaomicron VPI-5482
• Total number of polymer chains: 1
• Total formula weight: 84321.31

Authors

Darby, J.F.,Davies, G.J.,Hubbard, R.E. (deposition date: 2016-11-27, release date: 2017-11-01, Last modification date: 2024-01-17)

• Primary citation: Darby, J.F.,Atobe, M.,Firth, J.D.,Bond, P.,Davies, G.J.,O'Brien, P.,Hubbard, R.E.; Increase of enzyme activity through specific covalent modification with fragments.; Chem Sci, 8:7772-7779, 2017; PubMed: 29163914; DOI: 10.1039/c7sc01966a

Experimental method

X-RAY DIFFRACTION (2 Å)