4U95

Coupling of remote alternating-access transport mechanisms for protons and substrates in the multidrug efflux pump 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	Multidrug efflux pump subunit AcrB	polymer	1057	114678.2	3	UniProt (P31224) Pfam (PF00873) In PDB	Escherichia coli	AcrAB-TolC multidrug efflux pump subunit AcrB,Acridine resistance protein B
2	D, E	DARPin	polymer	169	18317.6	2		synthetic construct
3	A, B, C	DODECYL-BETA-D-MALTOSIDE	non-polymer		510.6	3	Chemie (LMT)
4	B	(4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE	non-polymer		457.5	1	Chemie (MIY)
5		water	water		18.0	2357	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Ala 940	Lys 940	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	380669.7
Non-Polymers*	Number of molecules	4
	Total formula weight	1989.3
All*	Total formula weight	382659.0

*Water molecules are not included.