2YII

Manipulating the regioselectivity of phenylalanine aminomutase: new insights into the reaction mechanism of MIO-dependent enzymes from structure-guided directed evolution

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 (A, B, C, D)	PHENYLALANINE AMMONIA-LYASE	polymer	707	77553.6	4	UniProt (Q68G84) Pfam (PF00221)	TAXUS WALLICHIANA VAR. CHINENSIS (CHINESE YEW)	PHENYLALANINE AMINOMUTASE
2	E, F, H, I, L... (A, B, C, D)	BETA-MERCAPTOETHANOL	non-polymer		78.1	8	Chemie (BME)
3	G, K, N, Q (A, B, C, D)	FORMIC ACID	non-polymer		46.0	4	Chemie (FMT)
4	J (B)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
5	R, S, T, U (A, B, C, D)	water	water		18.0	834	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

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	310214.5
Non-Polymers*	Number of molecules	13
	Total formula weight	901.3
All*	Total formula weight	311115.8

*Water molecules are not included.