7PH2

Nanodisc reconstituted MsbA in complex with nanobodies, spin-labeled at position A60C

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-dependent lipid A-core flippase	polymer	593	65760.9	2	UniProt (P60752) Pfam (PF00664) Pfam (PF00005) In PDB	Escherichia coli K-12	Lipid A export ATP-binding/permease protein MsbA,Lipid flippase
2	C, D	Nb_MsbA#1	polymer	116	12369.9	2		Vicugna pacos
3	A	(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{S},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-4-[(3~{R})-3-nonanoyloxytetradecanoyl]oxy-5-[[(3~{R})-3-octanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{S},5~{S},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanylnonanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-oxan-2-yl]methoxy]-5-oxidanyl-oxane-2-carboxylic acid	non-polymer		2206.5	1	Chemie (EIW)
4	C, D	(1~{R},4~{R},11~{S},14~{S},19~{Z})-19-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethylimino]-7,8,17,18-tetraoxa-1,4,11,14-tetrazatricyclo[12.6.2.2^{4,11}]tetracosane-6,9,16-trione	non-polymer		524.5	2	Chemie (88T)
5	C, D	GADOLINIUM ATOM	non-polymer		157.3	2	Chemie (GD)

Sequence modifications

A, B: 1 - 582 (UniProt: P60752)

PDB	External Database	Details
Gly -10	-	expression tag
Pro -9	-	expression tag
Asp -8	-	expression tag
Glu -7	-	expression tag
Ala -6	-	expression tag
Glu -5	-	expression tag
Lys -4	-	expression tag
Leu -3	-	expression tag
Phe -2	-	expression tag
Asn -1	-	expression tag
Gln 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	156261.5
Non-Polymers*	Number of molecules	5
	Total formula weight	3570.1
All*	Total formula weight	159831.5

*Water molecules are not included.