3W9J

Structural basis for the inhibition of bacterial multidrug exporters

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E... (A, B, C, D, E...)	Multidrug resistance protein MexB	polymer	1052	113706.0	6	UniProt (P52002) Pfam (PF00873)	Pseudomonas aeruginosa	Multidrug-efflux transporter MexB
2	G, H, I, K, L... (A, B, C, D, E...)	DODECYL-BETA-D-MALTOSIDE	non-polymer		510.6	15	Chemie (LMT)
3	J, R (B, E)	[{2-[({[(3R)-1-{8-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-4-oxo-3-[(E)-2-(1H-tetrazol-5-yl)ethenyl]-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidin-3-yl]oxy}carbonyl)amino]ethyl}(dimethyl)ammonio]acetate	non-polymer		693.8	2	Chemie (P9D)

Sequence modifications

A, B, C, D, E, F: 1 - 1046 (UniProt: P52002)

PDB	External Database	Details
His 1047	-	expression tag
His 1048	-	expression tag
His 1049	-	expression tag
His 1050	-	expression tag
His 1051	-	expression tag
His 1052	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	682236.0
Non-Polymers*	Number of molecules	17
	Total formula weight	9046.8
All*	Total formula weight	691282.8

*Water molecules are not included.