8GK7

MsbA bound to cerastecin C

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	598	66893.6	2	UniProt (A0A6F8TGG1)	Acinetobacter baumannii
2	C, E (A, B)	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	non-polymer		506.2	2	Chemie (ANP)
3	D (A)	2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid	non-polymer		778.9	1	Chemie (ZQF)

Sequence modifications

A, B: 1 - 575 (UniProt: A0A6F8TGG1)

PDB	External Database	Details
Met -22	-	initiating methionine
Gly -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
His -7	-	expression tag
Ile -6	-	expression tag
Asp -5	-	expression tag
Asp -4	-	expression tag
Asp -3	-	expression tag
Asp -2	-	expression tag
Lys -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	133787.2
Non-Polymers*	Number of molecules	3
	Total formula weight	1791.3
All*	Total formula weight	135578.4

*Water molecules are not included.