2VRJ

Beta-glucosidase from Thermotoga maritima in complex with N-octyl-5- deoxy-6-oxa-N-(thio)carbamoylcalystegine

Summary for 2VRJ

Entry DOI	10.2210/pdb2vrj/pdb
Related	1OD0 1OIF 1OIM 1OIN 1UZ1 1W3J 2CBU 2CBV 2CES 2CET 2J75 2J77 2J78 2J79 2J7B 2J7C 2J7D 2J7E 2J7F 2J7G 2J7H 2JAL
Descriptor	BETA-GLUCOSIDASE A, (1S,2R,3S,4R,5R)-2,3,4-trihydroxy-N-octyl-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide, CALCIUM ION, ... (5 entities in total)
Functional Keywords	calystegine, glycoside hydrolase, family 1, hydrolase, inhibitor, glycosidase, polysaccharide degradation, cellulose degradation, carbohydrate metabolism
Biological source	THERMOTOGA MARITIMA
Total number of polymer chains	2
Total formula weight	108803.50
Authors	Aguilar, M.,Gloster, T.M.,Garcia-Moreno, M.I.,Ortiz Mellet, C.,Davies, G.J.,Llebaria, A.,Casas, J.,Egido-Gabas, M.,Garcia Fernandez, J.M. (deposition date: 2008-04-09, release date: 2008-10-14, Last modification date: 2023-12-13)
Primary citation	Aguilar, M.,Gloster, T.M.,Garcia-Moreno, M.I.,Ortiz Mellet, C.,Davies, G.J.,Llebaria, A.,Casas, J.,Egido-Gabas, M.,Garcia Fernandez, J.M. Molecular Basis for Beta-Glucosidase Inhibition by Ring-Modified Calystegine Analogues. Chembiochem, 9:2612-, 2008 Cited by PubMed: 18833549 DOI: 10.1002/CBIC.200800451 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.9 Å)

Structure validation