2A3B

Crystal structure of Aspergillus fumigatus chitinase B1 in complex with caffeine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	chitinase	polymer	433	47661.8	2	UniProt (Q873X9) Pfam (PF00704)	Aspergillus fumigatus	chitinase B1
2	C, D, E, F, G... (A, B)	SULFATE ION	non-polymer		96.1	12	Chemie (SO4)
3	I, J, K, R, S... (A, B)	CAFFEINE	non-polymer		194.2	6	Chemie (CFF)
4	U, V (A, B)	water	water		18.0	969	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	95323.7
Non-Polymers*	Number of molecules	18
	Total formula weight	2317.9
All*	Total formula weight	97641.6

*Water molecules are not included.