2A3B

Crystal structure of Aspergillus fumigatus chitinase B1 in complex with caffeine

Summary for 2A3B

Entry DOI	10.2210/pdb2a3b/pdb
Related	1W9P 1W9U 1W9V 2A3A 2A3C 2A3E
Descriptor	chitinase, SULFATE ION, CAFFEINE, ... (4 entities in total)
Functional Keywords	(beta-alpha)8 barrel, chitinase-caffeine complex, hydrolase
Biological source	Aspergillus fumigatus
Cellular location	Secreted : Q873X9
Total number of polymer chains	2
Total formula weight	97641.57
Authors	Rao, F.V.,Andersen, O.A.,Vora, K.A.,DeMartino, J.A.,van Aalten, D.M.F. (deposition date: 2005-06-24, release date: 2005-09-27, Last modification date: 2023-10-25)
Primary citation	Rao, F.V.,Andersen, O.A.,Vora, K.A.,Demartino, J.A.,van Aalten, D.M. Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes. Chem.Biol., 12:973-980, 2005 Cited by PubMed: 16183021 DOI: 10.1016/j.chembiol.2005.07.009 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.9 Å)

Structure validation