8DMM

Structure of the vanadate-trapped MsbA bound to KDL

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	ATP-binding transport protein MsbA	polymer	583	64543.5	2	UniProt (C3TGA2) Pfam (PF00664) Pfam (PF00005) UniProt (by SIFTS) (P60752) In PDB	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	A, B	ADP ORTHOVANADATE	non-polymer		544.2	2	Chemie (AOV)
3	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)

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	4
	Total formula weight	5565.7
All*	Total formula weight	134652.7

*Water molecules are not included.