8TSO

KDL bound, nucleotide-free MsbA in open, outward-facing conformation

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)	ATP-binding transport protein MsbA	polymer	583	64543.5	2	UniProt (C3TGA2) Pfam (PF00664) Pfam (PF00005) UniProt (by SIFTS) (P60752)	Escherichia coli	ATP-binding transport protein multicopy suppressor of htrB,Lipid A ABC exporter,fused ATPase and inner membrane subunits MsbA,Lipid A ABC transporter ATP-binding protein/permease MsbA,Lipid A export ATP-binding/permease MsbA,Lipid A export permease MsbA,Lipid ABC transporter permease/ATP-binding protein,Lipid ABC transporter permease/ATPase,Lipid transporter ATP-binding/permease,Vga(B)_1_U82085
2	C, D, G, H (A, B)	PENTAETHYLENE GLYCOL MONODECYL ETHER	non-polymer		378.5	4	Chemie (CXE) PubChem (168092)
3	E, F (A, B)	(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid	non-polymer		2238.7	2	Chemie (KDL) PubChem (23350883) PubChem (440886) PubChem (60101765) PubChem (90714308) PubChem (91820279) PubChem (5242961) PubChem (5771770) PubChem (9547199) PubChem (136212440) PubChem (11355423) PubChem (126455995) PubChem (171036006) PubChem (131871047) PubChem (132983953) PubChem (170907861) PubChem (172948496) PubChem (175667469)

Sequence modifications

A, B: 2 - 582 (UniProt: C3TGA2)

PDB	External Database	Details
Gly 0	-	expression tag
Ser 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	129086.9
Non-Polymers*	Number of molecules	6
	Total formula weight	5991.6
All*	Total formula weight	135078.6

*Water molecules are not included.