9R2J

Crystal structure of human MAO B in complex with (E)-3-(4-nitrophenyl)-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one (chalcone inhibitor, 4a)

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (AAA, BBB)	Amine oxidase [flavin-containing] B	polymer	519	58706.5	2	UniProt (P27338) Pfam (PF01593)	Homo sapiens (human)	Monoamine oxidase type B,MAO-B
2	C, F (AAA, BBB)	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	2	Chemie (FAD)
3	D, G (AAA, BBB)	N-DODECYL-N,N-DIMETHYL-3-AMMONIO-1-PROPANESULFONATE	non-polymer		336.6	2	Chemie (C15)
4	E, H (AAA, BBB)	(~{E})-3-(4-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one	non-polymer		321.3	2	Chemie (A1JCO)
5	I, J (AAA, BBB)	water	water		18.0	853	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	117413.1
Non-Polymers*	Number of molecules	6
	Total formula weight	2886.7
All*	Total formula weight	120299.8

*Water molecules are not included.