7PH3

AMP-PNP bound nanodisc reconstituted MsbA 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 (A, B)	ATP-dependent lipid A-core flippase	polymer	593	65760.9	2	UniProt (P60752) Pfam (PF00664) Pfam (PF00005)	Escherichia coli K-12	Lipid A export ATP-binding/permease protein MsbA,Lipid flippase
2	C, D (C, D)	Nanobody Nb_MsbA#1	polymer	117	12441.0	2		Vicugna pacos
3	E, I (A, B)	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	non-polymer		506.2	2	Chemie (ANP)
4	F, J (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
5	G, L (A, B)	DODECYL-BETA-D-MALTOSIDE	non-polymer		510.6	2	Chemie (LMT)
6	H, K (A, B)	1,2-Distearoyl-sn-glycerophosphoethanolamine	non-polymer		748.1	2	Chemie (3PE)
7	M, O (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)
8	N, P (C, D)	GADOLINIUM ATOM	non-polymer		157.3	2	Chemie (GD)
9	Q, R (A, B)	water	water		18.0	4	Chemie (HOH)

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	156403.6
Non-Polymers*	Number of molecules	12
	Total formula weight	4941.9
All*	Total formula weight	161345.5

*Water molecules are not included.