6Y9D

Crystal structure of the quaternary ammonium Rieske monooxygenase CntA in complex with substrate L-Carnitine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E...	Carnitine monooxygenase oxygenase subunit	polymer	391	44780.2	12	UniProt (A0A059ZPP5) Pfam (PF00355) Pfam (PF00848) In PDB	Acinetobacter baumannii	Carnitine monooxygenase alpha subunit
2	I, D, J, E, K...	FE (III) ION	non-polymer		55.8	12	Chemie (FE)
3	I, D, J, E, K...	FE2/S2 (INORGANIC) CLUSTER	non-polymer		175.8	12	Chemie (FES)
4	I, D, J, E, K...	CARNITINE	non-polymer		162.2	12	Chemie (152)
5	I, D, J, E, K...	THIOCYANATE ION	non-polymer		58.1	12	Chemie (SCN)
6	C, I, D, J, E...	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	non-polymer		238.3	12	Chemie (EPE)
7		water	water		18.0	1002	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H, I, J, K, L: 1 - 371 (UniProt: A0A059ZPP5)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	12
	Total formula weight	537362.1
Non-Polymers*	Number of molecules	60
	Total formula weight	8283.1
All*	Total formula weight	545645.2

*Water molecules are not included.