6A36

Mandelate oxidase mutant-Y128F with the 3-fluoropyruvic acid FMN adduct

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	4-hydroxymandelate oxidase	polymer	377	40029.6	1	UniProt (O52792) Pfam (PF01070)	Amycolatopsis orientalis (Nocardia orientalis)
2	B (A)	1-{5-[(3S)-3-carboxy-4-fluoro-3-hydroxybutanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-1-deoxy-5-O-phosphono-D-ribitol	non-polymer		606.4	1	Chemie (9P9)
3	C (A)	1-deoxy-1-{5-[(1S)-2-fluoro-1-hydroxyethyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-5-O-phosphono-D-ribitol	non-polymer		520.4	1	Chemie (9PF)
4	D (A)	water	water		18.0	348	Chemie (HOH)

Sequence modifications

A: 1 - 357 (UniProt: O52792)

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 128	Tyr 128	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	40029.6
Non-Polymers*	Number of molecules	2
	Total formula weight	1126.9
All*	Total formula weight	41156.4

*Water molecules are not included.