7BUG

Reduced oxygenase of carbazole 1,9a-dioxygenase

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 (A, B, C)	Terminal oxygenase component of carbazole	polymer	392	44910.7	3	UniProt (Q84II6) Pfam (PF00355) Pfam (PF11723)	Janthinobacterium sp. (strain J3)
2	CA, D, P (C, A, B)	FE2/S2 (INORGANIC) CLUSTER	non-polymer		175.8	3	Chemie (FES)
3	DA, E, Q (C, A, B)	FE (II) ION	non-polymer		55.8	3	Chemie (FE2)
4	EA, F, R, S, T (C, A, B)	MAGNESIUM ION	non-polymer		24.3	5	Chemie (MG)
5	FA, G, HA, JA, KA... (C, A, B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	8	Chemie (PEG)
6	GA, H, J, U (C, A, B)	TRIETHYLENE GLYCOL	non-polymer		150.2	4	Chemie (PGE)
7	I (A)	TETRAETHYLENE GLYCOL	non-polymer		194.2	1	Chemie (PG4)
8	K (A)	HEXAETHYLENE GLYCOL	non-polymer		282.3	1	Chemie (P6G)
9	IA, L, W (C, A, B)	PENTAETHYLENE GLYCOL	non-polymer		238.3	3	Chemie (1PE)
10	M, Z (A, B)	CARBONATE ION	non-polymer		60.0	2	Chemie (CO3)
11	LA, N (C, A)	2-METHOXYETHANOL	non-polymer		76.1	2	Chemie (MXE)
12	AA, BA, MA, O (B, C, A)	2-(2-METHOXYETHOXY)ETHANOL	non-polymer		120.1	4	Chemie (PG0)
13	NA, OA, PA (A, B, C)	water	water		18.0	860	Chemie (HOH)

Sequence modifications

A, B, C: 1 - 384 (UniProt: Q84II6)

PDB	External Database	Details
Leu 385	-	expression tag
Glu 386	-	expression tag
His 387	-	expression tag
His 388	-	expression tag
His 389	-	expression tag
His 390	-	expression tag
His 391	-	expression tag
His 392	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	134732.2
Non-Polymers*	Number of molecules	36
	Total formula weight	4210.4
All*	Total formula weight	138942.6

*Water molecules are not included.