6BPL

E. coli MsbA in complex with LPS and inhibitor G907

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	branched		888.8	1	In PDB GlyTouCan (G00247JU)
3	D (D)	3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-[L-glycero-alpha-D-manno-heptopyranose-(1-5)]3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-6)-2-amino-2-deoxy-beta-D-glucopyranose	branched		811.7	1	In PDB GlyTouCan (G68945FV)
4	E, L, M, N (A, B)	1,2-Distearoyl-sn-glycerophosphoethanolamine	non-polymer		748.1	4	Chemie (3PE)
5	F, O (A, B)	(2E)-3-{6-[(1S)-1-(2-chloro-6-cyclopropylphenyl)ethoxy]-4-cyclopropylquinolin-3-yl}prop-2-enoic acid	non-polymer		433.9	2	Chemie (AU7)
6	G, H, I, R (A, B)	3-HYDROXY-TETRADECANOIC ACID	non-polymer		244.4	4	Chemie (FTT)
7	J (A)	MYRISTIC ACID	non-polymer		228.4	1	Chemie (MYR)
8	K, Q (A, B)	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
9	P (B)	2-amino-2-deoxy-alpha-D-glucopyranose	non-polymer		179.2	1	Chemie (PA1)
10	S (B)	LAURIC ACID	non-polymer		200.3	1	Chemie (DAO)
11	T (B)	DIPHOSPHATE	non-polymer		173.9	1	Chemie (DPO)

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	2
	Total formula weight	1700.5
Non-Polymers*	Number of molecules	16
	Total formula weight	5809.3
All*	Total formula weight	136482.7

*Water molecules are not included.