6ZO9

Binding of two rifabutins to the access pocket of AcrB-G621P T protomer

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	Multidrug efflux pump subunit AcrB	polymer	1057	114776.4	3	UniProt (P31224) Pfam (PF00873) In PDB	Escherichia coli K-12	AcrAB-TolC multidrug efflux pump subunit AcrB,Acridine resistance protein B
2	D, E	DARPIN	polymer	169	18317.6	2		synthetic construct
3	C, A	DODECANE	non-polymer		170.3	3	Chemie (D12)
4	C, A, B	DODECYL-BETA-D-MALTOSIDE	non-polymer		510.6	6	Chemie (LMT)
5	C, A	PHOSPHATIDYLETHANOLAMINE	non-polymer		734.0	3	Chemie (PTY)
6	C, A, B	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
7	A, B	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
8	B	(2S)-3-hydroxypropane-1,2-diyl didecanoate	non-polymer		400.6	1	Chemie (DDR)
9	C, B	HEXANE	non-polymer		86.2	2	Chemie (HEX)
10	C, B	N-OCTANE	non-polymer		114.2	3	Chemie (OCT)
11	C, B	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
12	B	RIFABUTIN	non-polymer		847.0	2	Chemie (RBT)
13	C	TETRADECANE	non-polymer		198.4	1	Chemie (C14)
14	C	DECANE	non-polymer		142.3	2	Chemie (D10)
15	C	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
16		water	water		18.0	231	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Pro 621	Gly 621	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	380964.2
Non-Polymers*	Number of molecules	33
	Total formula weight	9621.5
All*	Total formula weight	390585.7

*Water molecules are not included.