7OUL

BDM88832 inhibitor bound to the transmembrane domain of AcrB-R971A

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 (A, B, C)	Multidrug efflux pump subunit AcrB	polymer	1057	114650.2	3	UniProt (P31224) Pfam (PF00873)	Escherichia coli	AcrAB-TolC multidrug efflux pump subunit AcrB,Acridine resistance protein B
2	D, E (D, E)	DARPIN	polymer	169	18317.6	2		synthetic construct
3	F, G, K, N, O... (A, B, C)	DODECYL-BETA-D-MALTOSIDE	non-polymer		510.6	6	Chemie (LMT)
4	BA, DA, EA, FA, H... (C, D, E, A, B)	1,2-ETHANEDIOL	non-polymer		62.1	11	Chemie (EDO)
5	I (A)	1-(3-chloranyl-5-iodanyl-pyridin-2-yl)piperazine	non-polymer		323.6	1	Chemie (1KE)
6	J (A)	DODECANE	non-polymer		170.3	1	Chemie (D12)
7	CA, L, P (C, A, B)	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
8	AA, Q (C, B)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
9	W (C)	(2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate	non-polymer		453.6	1	Chemie (LPX)
10	Y (C)	DECYLAMINE-N,N-DIMETHYL-N-OXIDE	non-polymer		201.3	1	Chemie (DDQ)
11	Z (C)	TETRADECANE	non-polymer		198.4	1	Chemie (C14)
12	GA, HA, IA, JA, KA (A, B, C, D, E)	water	water		18.0	173	Chemie (HOH)

Sequence modifications

A, B, C: 1 - 1049 (UniProt: P31224)

PDB	External Database	Details
Ala 971	Arg 971	engineered mutation
Leu 1050	-	expression tag
Glu 1051	-	expression tag
His 1052	-	expression tag
His 1053	-	expression tag
His 1054	-	expression tag
His 1055	-	expression tag
His 1056	-	expression tag
His 1057	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	380585.7
Non-Polymers*	Number of molecules	27
	Total formula weight	5566.0
All*	Total formula weight	386151.7

*Water molecules are not included.