4NBD

Carbazole-bound oxygenase with Phe275 replaced by Trp and ferredoxin complex of carbazole 1,9a-dioxygenase (form2)

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	Terminal oxygenase component of carbazole	polymer	392	44949.8	3	UniProt (Q84II6) Pfam (PF00355) Pfam (PF11723) In PDB	Janthinobacterium	Terminal oxygenase component of carbazole 1,9a-dioxygenase
2	D, E	Ferredoxin CarAc	polymer	115	12448.1	2	UniProt (Q8GI16) Pfam (PF00355) In PDB	Pseudomonas resinovorans	Ferredoxin of carbazole 1,9a-dioxygenase, CARDO
3	A, B, C	FE (II) ION	non-polymer		55.8	3	Chemie (FE2)
4	A, B, C, D, E	FE2/S2 (INORGANIC) CLUSTER	non-polymer		175.8	5	Chemie (FES)
5	A, B, C	9H-CARBAZOLE	non-polymer		167.2	3	Chemie (9CA)
6		water	water		18.0	897	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Trp 275	Phe 275	engineered mutation
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

D, E: 1 - 107 (UniProt: Q8GI16)

PDB	External Database	Details
Leu 108	-	expression tag
Glu 109	-	expression tag
His 110	-	expression tag
His 111	-	expression tag
His 112	-	expression tag
His 113	-	expression tag
His 114	-	expression tag
His 115	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	159745.4
Non-Polymers*	Number of molecules	11
	Total formula weight	1548.3
All*	Total formula weight	161293.7

*Water molecules are not included.