6BPP

E. coli MsbA in complex with LPS and inhibitor G092

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Lipid A export ATP-binding/permease protein MsbA	polymer	582	64486.4	2	UniProt (Q8FJB1) Pfam (PF00664) Pfam (PF00005)	Escherichia coli O6:H1 (strain CFT073 / ATCC 700928 / UPEC)
2	C (C)	alpha-D-glucopyranose-(1-3)-[alpha-D-glucopyranose-(1-6)]alpha-D-glucopyranose-(1-3)-[L-glycero-alpha-D-manno-heptopyranose-(1-7)]L-glycero-alpha-D-manno-heptopyranose-(1-3)-L-glycero-alpha-D-manno-heptopyranose-(1-5)-[3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)]3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-6)-2-amino-2-deoxy-beta-D-glucopyranose-(1-6)-2-amino-2-deoxy-alpha-D-glucopyranose	branched		1843.6	1	In PDB GlyTouCan (G17242FQ)
3	D, L (A, B)	(2E)-3-{6-[(1S)-1-(3-amino-2,6-dichlorophenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid	non-polymer		443.3	2	Chemie (E1M)
4	E, G, N, O (A, B)	3-HYDROXY-TETRADECANOIC ACID	non-polymer		244.4	4	Chemie (FTT)
5	F (A)	LAURIC ACID	non-polymer		200.3	1	Chemie (DAO)
6	H, I, J, K, R... (A, B)	1,2-Distearoyl-sn-glycerophosphoethanolamine	non-polymer		748.1	7	Chemie (3PE)
7	M, Q (B)	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
8	P (B)	MYRISTIC ACID	non-polymer		228.4	1	Chemie (MYR)

Sequence modifications

A, B: 2 - 582 (UniProt: Q8FJB1)

PDB	External Database	Details
Ser 1	-	expression tag
Val 65	Met 65	conflict
Val 84	Ile 84	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	128972.9
Branched	Number of molecules	1
	Total formula weight	1843.6
Non-Polymers*	Number of molecules	17
	Total formula weight	7719.2
All*	Total formula weight	138535.7

*Water molecules are not included.