7OUK

BDM88855 inhibitor bound to the transmembrane domain of AcrB

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	114736.3	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	BA, F, H, MA, P... (B, A, C)	DODECYL-BETA-D-MALTOSIDE	non-polymer		510.6	8	Chemie (LMT)
4	G, HA (A, B)	3-chloranyl-2-piperazin-1-yl-quinoline	non-polymer		247.7	2	Chemie (1K8)
5	EA, FA, I, LA, N... (B, A, C)	1,2-ETHANEDIOL	non-polymer		62.1	14	Chemie (EDO)
6	J, KA, NA (A, C)	N-OCTANE	non-polymer		114.2	3	Chemie (OCT)
7	K, M, PA (A, C)	TETRADECANE	non-polymer		198.4	3	Chemie (C14)
8	AA, CA, DA, L, SA... (B, A, C)	GLYCEROL	non-polymer		92.1	6	Chemie (GOL)
9	W (B)	DECANE	non-polymer		142.3	1	Chemie (D10)
10	Z (B)	(2S)-3-hydroxypropane-1,2-diyl didecanoate	non-polymer		400.6	1	Chemie (DDR)
11	GA (B)	DECYLAMINE-N,N-DIMETHYL-N-OXIDE	non-polymer		201.3	1	Chemie (DDQ)
12	IA, JA, WA (B, C)	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
13	OA, QA (C)	(2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate	non-polymer		453.6	2	Chemie (LPX)
14	AB, BB, XA, YA, ZA (D, E, A, B, C)	water	water		18.0	365	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
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	380844.0
Non-Polymers*	Number of molecules	44
	Total formula weight	8879.2
All*	Total formula weight	389723.2

*Water molecules are not included.