6Q4O

Fusidic acid bound AcrB_I27A

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	114694.2	3	UniProt (P31224) Pfam (PF00873)	Escherichia coli K-12	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	F, G, H, I, OA... (A, C, B)	DODECYL-BETA-D-MALTOSIDE	non-polymer		510.6	8	Chemie (LMT)
4	J, K, QA, RA, SA... (A, C, B)	DECANE	non-polymer		142.3	8	Chemie (D10)
5	AA, BA, CA, L, M... (B, A, C)	DECYLAMINE-N,N-DIMETHYL-N-OXIDE	non-polymer		201.3	9	Chemie (DDQ)
6	DA, EA, FA, LB, MB... (B, D, E, A, C)	GLYCEROL	non-polymer		92.1	11	Chemie (GOL)
7	AB, BB, CB, GA, HA... (C, B, A)	HEXANE	non-polymer		86.2	9	Chemie (HEX)
8	KA, LA, R, S (B, A)	N-OCTANE	non-polymer		114.2	4	Chemie (OCT)
9	T (B)	FUSIDIC ACID	non-polymer		516.7	1	Chemie (FUA)
10	HB, IB, JB, MA (C, B)	DODECANE	non-polymer		170.3	4	Chemie (D12)
11	NA (B)	(2S)-3-hydroxypropane-1,2-diyl didecanoate	non-polymer		400.6	1	Chemie (DDR)
12	DB, EB, FB, GB (C)	PHOSPHATIDYLETHANOLAMINE	non-polymer		734.0	4	Chemie (PTY)
13	KB (C)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
14	NB, OB, PB, QB, RB (A, B, C, D, E)	water	water		18.0	640	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Ala 27	Ile 27	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	380717.8
Non-Polymers*	Number of molecules	60
	Total formula weight	13911.7
All*	Total formula weight	394629.5

*Water molecules are not included.