6Y8S

Crystal structure of the quaternary ammonium Rieske monooxygenase CntA in complex with substrate gamma-butyrobetaine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Carnitine monooxygenase oxygenase subunit	polymer	391	44780.2	1	UniProt (A0A059ZPP5) Pfam (PF00355) Pfam (PF00848) In PDB	Acinetobacter baumannii	Carnitine monooxygenase alpha subunit
2	A	FE (III) ION	non-polymer		55.8	1	Chemie (FE)
3	A	FE2/S2 (INORGANIC) CLUSTER	non-polymer		175.8	1	Chemie (FES)
4	A	3-CARBOXY-N,N,N-TRIMETHYLPROPAN-1-AMINIUM	non-polymer		146.2	2	Chemie (NM2)
5	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
6		water	water		18.0	238	Chemie (HOH)

Sequence modifications

A: 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	1
	Total formula weight	44780.2
Non-Polymers*	Number of molecules	5
	Total formula weight	616.2
All*	Total formula weight	45396.3

*Water molecules are not included.