6A39

The crystal structure of Mandelate oxidase Y128F with C4a-Malic acid-monooxide-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	4-hydroxymandelate oxidase	polymer	377	40029.6	1	UniProt (O52792) Pfam (PF01070) In PDB	Amycolatopsis orientalis (Nocardia orientalis)
2	A	(~{E})-2-[[(4~{a}~{S})-7,8-dimethyl-2,4-bis(oxidanylidene)-10-[(2~{S},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-5~{H}-benzo[g]pteridin-4~{a}-yl]oxy]-3-oxidanyl-but-2-enedioic acid	non-polymer		604.4	1	Chemie (B8C)
3		water	water		18.0	264	Chemie (HOH)

Sequence modifications

A: 1 - 357 (UniProt: O52792)

PDB	External Database	Details
Met -19	-	initiating methionine
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	1
	Total formula weight	604.4
All*	Total formula weight	40634.0

*Water molecules are not included.