4F5L

A Theoretical Optimized Mutant for the Conversion of Substrate Specificity and Activity of Aspartate Aminotransferase to Tyrosine Aminotransferase: Chimera P7.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Aspartate aminotransferase	polymer	406	44783.4	2	UniProt (P00509) Pfam (PF00155)	Escherichia coli	AspAT, Transaminase A
2	C, D, E, F, G... (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	13	Chemie (EDO)
3	P, Q (A, B)	water	water		18.0	1237	Chemie (HOH)

Sequence modifications

A, B: 12 - 406 (UniProt: P00509)

PDB	External Database	Details
Met 1	-	expression tag
Ala 2	-	expression tag
His 3	-	expression tag
His 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
His 7	-	expression tag
His 8	-	expression tag
Val 9	-	expression tag
Gly 10	-	expression tag
Thr 11	-	expression tag
Val 39	Ile 29	engineered mutation
Asp 40	Asn 30	engineered mutation
Val 43	Ile 33	engineered mutation
Met 56	Leu 46	engineered mutation
Thr 74	Asn 64	engineered mutation
Leu 78	Ile 68	engineered mutation
Leu 81	Ile 71	engineered mutation
Ser 114	Thr 104	engineered mutation
Thr 139	Ser 129	engineered mutation
Ala 145	Ser 135	engineered mutation
Ile 146	Val 136	engineered mutation
Ala 197	Ile 187	engineered mutation
Ile 220	Phe 210	engineered mutation
Ile 222	Phe 212	engineered mutation
Gly 228	Ala 218	engineered mutation
Cys 254	Tyr 244	engineered mutation
Ser 295	Asn 285	engineered mutation
Ile 385	Val 375	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	89566.8
Non-Polymers*	Number of molecules	13
	Total formula weight	806.9
All*	Total formula weight	90373.7

*Water molecules are not included.