8J5V

Crystal structure of estZF172 as a novel biocatalyst for the efficient biosynthesis of a chiral intermediate of pregabalin

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Carboxylesterase	polymer	404	44055.5	1	UniProt (A0A6S5TYM3) Pfam (PF00144) In PDB	Pseudomonas putida (Arthrobacter siderocapsulatus)
2		water	water		18.0	88	Chemie (HOH)

Sequence modifications

A: 2 - 381 (UniProt: A0A6S5TYM3)

PDB	External Database	Details
Met -17	-	initiating methionine
Gly -16	-	expression tag
Ser -15	-	expression tag
Ser -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
Gly 0	-	expression tag
Val 1	-	expression tag
Arg 382	-	expression tag
Arg 383	-	expression tag
Arg 384	-	expression tag
Arg 385	-	expression tag
Arg 386	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	44055.5
All*	Total formula weight	44055.5

*Water molecules are not included.