6A21

Mandelate oxidase mutant-Y128F with the N5-malonyl-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	3-[7,8-dimethyl-2,4-bis(oxidanylidene)-10-[(2S,3S,4R)-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-1H-benzo[g]pteridin-5-yl]-3-oxidanylidene-propanoic acid	non-polymer		544.4	1	Chemie (9OR)
3		water	water		18.0	375	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	1
	Total formula weight	544.4
All*	Total formula weight	40574.0

*Water molecules are not included.