6A01

The crystal structure of Mandelate oxidase Y128F with 3,3-difluoro-2,2-dihydroxy-3-phenylpropionic acid

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)	FLAVIN MONONUCLEOTIDE	non-polymer		456.3	1	Chemie (FMN)
3	C (A)	3,3-difluoro-2,2-dihydroxy-3-phenylpropanoic acid	non-polymer		218.2	1	Chemie (9NO)
4	D (A)	water	water		18.0	286	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	674.5
All*	Total formula weight	40704.1

*Water molecules are not included.