7B8R

Doxycycline bound structure of bacterial efflux pump.

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,Multidrug efflux pump subunit AcrB	polymer	613	66099.0	3	UniProt (P31224) Pfam (PF00873) In PDB	Escherichia coli (strain K12)	AcrAB-TolC multidrug efflux pump subunit AcrB,Acridine resistance protein B,AcrAB-TolC multidrug efflux pump subunit AcrB,Acridine resistance protein B
2	D, E, F	DARPin	polymer	169	18317.6	3		synthetic construct
3	A, B, C	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	5	Chemie (PEG)
4	C	(4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE	non-polymer		444.4	2	Chemie (DXT)
5		water	water		18.0	689	Chemie (HOH)

Sequence modifications

A, B, C: 39 - 329 (UniProt: P31224)

PDB	External Database	Details
Ser 38	-	expression tag

A, B, C: 561 - 869 (UniProt: P31224)

PDB	External Database	Details
Gly 552	-	linker
Gly 553	-	linker
Ser 554	-	linker
Gly 555	-	linker
Gly 556	-	linker
Ser 557	-	linker
Gly 558	-	linker
Gly 559	-	linker
Ser 560	-	linker
Ser 870	-	expression tag
Ala 871	-	expression tag
Leu 872	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	253249.8
Non-Polymers*	Number of molecules	7
	Total formula weight	1419.5
All*	Total formula weight	254669.3

*Water molecules are not included.