6ZGP

Crystal structure of the quaternary ammonium Rieske monooxygenase CntA in complex with inhibitor MMV12 (MMV020670)

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... (A, B, C, D, E...)	Carnitine monooxygenase oxygenase subunit	polymer	391	44780.2	12	UniProt (A0A059ZPP5)	Acinetobacter baumannii	Carnitine monooxygenase alpha subunit
2	AB, CA, EB, GA, KA... (K, E, L, F, G...)	FE (III) ION	non-polymer		55.8	12	Chemie (FE)
3	BB, DA, FB, HA, LA... (K, E, L, F, G...)	FE2/S2 (INORGANIC) CLUSTER	non-polymer		175.8	12	Chemie (FES)
4	AA, CB, EA, GB, IA... (D, K, E, L, F...)	~{N}-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide	non-polymer		387.4	12	Chemie (QKQ)
5	BA, DB, FA, HB, JA... (D, K, E, L, F...)	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	non-polymer		238.3	12	Chemie (EPE)
6	IB, JB, KB, LB, MB... (A, B, C, D, E...)	water	water		18.0	1208	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	48
	Total formula weight	10288.8
All*	Total formula weight	547650.9

*Water molecules are not included.