7Z98

Crystal structure of F191M variant Variovorax paradoxus indole monooxygenase (VpIndA1) in complex with methyl phenyl sulfide

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Putative dehydrogenase/oxygenase subunit (Flavoprotein)	polymer	433	47308.6	1	UniProt (E6V140) Pfam (PF17885)	Variovorax paradoxus EPS
2	B (A)	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	1	Chemie (FAD)
3	C, D (A)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
4	E (A)	(methylsulfanyl)benzene	non-polymer		124.2	1	Chemie (16R)
5	F (A)	water	water		18.0	367	Chemie (HOH)

Sequence modifications

A: 1 - 412 (UniProt: E6V140)

PDB	External Database	Details
Met -20	-	initiating methionine
Gly -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -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
His -9	-	expression tag
Ser -8	-	expression tag
Ser -7	-	expression tag
Gly -6	-	expression tag
His -5	-	expression tag
Ile -4	-	expression tag
Glu -3	-	expression tag
Gly -2	-	expression tag
Arg -1	-	expression tag
His 0	-	expression tag
Met 191	Phe 191	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	47308.6
Non-Polymers*	Number of molecules	4
	Total formula weight	1033.9
All*	Total formula weight	48342.5

*Water molecules are not included.