9CSI

A. baumannii MsbA Bound to Cerastecin Compound 5

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Lipid A export ATP-binding/permease protein MsbA	polymer	598	66893.6	1	UniProt (A0A6F8TGG1) Pfam (PF00664) Pfam (PF00005) In PDB	Acinetobacter baumannii
2	A	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	non-polymer		506.2	1	Chemie (ANP)
3	A	MONOVACCENIN	non-polymer		356.5	1	Chemie (MVC)
4	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
5	A	3,3'-[(1,4-dioxobutane-1,4-diyl)bis(azanediyl)]bis[(4-butylbenzene-1-sulfonamido)benzoic acid]	non-polymer		778.9	1	Chemie (A1AZS)
6		water	water		18.0	65	Chemie (HOH)

Sequence modifications

A: 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	1
	Total formula weight	66893.6
Non-Polymers*	Number of molecules	4
	Total formula weight	1665.9
All*	Total formula weight	68559.5

*Water molecules are not included.