6JXS

Crystal Structure of Indigo reductase (Y151F) from Bacillus smithii type strain DSM 4216

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 (A, B, C, D)	FMN-dependent NADH-azoreductase	polymer	231	25555.0	4	UniProt (G9QLG5) Pfam (PF02525)	Bacillus smithii	Azo-dye reductase,FMN-dependent NADH-azo compound oxidoreductase
2	E, G, H, I (A, B, C, D)	FLAVIN MONONUCLEOTIDE	non-polymer		456.3	4	Chemie (FMN)
3	F, J (A, D)	3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL	non-polymer		370.4	2	Chemie (PE8)
4	K, L, M, N (A, B, C, D)	water	water		18.0	377	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 211 (UniProt: G9QLG5)

PDB	External Database	Details
Met -19	-	expression tag
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
Phe 151	Tyr 151	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	102219.9
Non-Polymers*	Number of molecules	6
	Total formula weight	2566.2
All*	Total formula weight	104786.1

*Water molecules are not included.