6ZO7

3-Formylrifamycin SV binding to the access pocket of AcrB-G619P L and 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, B	DODECYL-BETA-D-MALTOSIDE	non-polymer		510.6	10	Chemie (LMT)
4	A	DECANE	non-polymer		142.3	1	Chemie (D10)
5	C, A, E, B	1,2-ETHANEDIOL	non-polymer		62.1	8	Chemie (EDO)
6	A, B	(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate	non-polymer		725.8	2	Chemie (3YI)
7	C, E, B	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
8	B	HEXANE	non-polymer		86.2	1	Chemie (HEX)
9	B	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
10	C	PHOSPHATIDYLETHANOLAMINE	non-polymer		734.0	2	Chemie (PTY)
11	C	DODECANE	non-polymer		170.3	2	Chemie (D12)
12	C	HEXADECANE	non-polymer		226.4	1	Chemie (R16)
13	C	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
14	C	DECYLAMINE-N,N-DIMETHYL-N-OXIDE	non-polymer		201.3	1	Chemie (DDQ)
15	C	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
16		water	water		18.0	293	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Pro 619	Gly 619	conflict
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	34
	Total formula weight	9950.0
All*	Total formula weight	390914.2

*Water molecules are not included.