4C5S

Structural Investigations into the Stereochemistry and Activity of a Phenylalanine-2,3-Aminomutase from Taxus chinensis

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D	PHENYLALANINE AMMONIA-LYASE	polymer	707	77461.5	4	UniProt (Q68G84) Pfam (PF00221) In PDB	TAXUS WALLICHIANA VAR. CHINENSIS	PHENYLALANINE AMINOMUTASE
2	A, B, C, D	(3S)-3-amino-2,2-difluoro-3-phenylpropanoic acid	non-polymer		201.2	4	Chemie (BQ7)
3		water	water		18.0	865	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 687 (UniProt: Q68G84)

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
Mdo 175	Ala 175	chromophore
Mdo 175	Ser 176	chromophore
Mdo 175	Gly 177	chromophore
Ala 80	Tyr 80	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	309846.2
Non-Polymers*	Number of molecules	4
	Total formula weight	804.7
All*	Total formula weight	310650.8

*Water molecules are not included.