4OU4

Crystal structure of esterase rPPE mutant S159A complexed with (S)-Ac-CPA

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Alpha/beta hydrolase fold-3 domain protein	polymer	338	36532.3	1	UniProt (L7PYQ2) Pfam (PF07859) In PDB	Pseudomonas	Esterase
2	A	(2S)-(acetyloxy)(2-chlorophenyl)ethanoic acid	non-polymer		228.6	1	Chemie (S2T)
3		water	water		18.0	98	Chemie (HOH)

Sequence modifications

A: 1 - 316 (UniProt: L7PYQ2)

PDB	External Database	Details
Met -13	-	expression tag
Ala -12	-	expression tag
Ser -11	-	expression tag
Met -10	-	expression tag
Thr -9	-	expression tag
Gly -8	-	expression tag
Gly -7	-	expression tag
Gln -6	-	expression tag
Gln -5	-	expression tag
Met -4	-	expression tag
Gly -3	-	expression tag
Arg -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Gln 10	Lys 10	SEE REMARK 999
Ala 159	Ser 159	engineered mutation
Leu 317	-	expression tag
Glu 318	-	expression tag
His 319	-	expression tag
His 320	-	expression tag
His 321	-	expression tag
His 322	-	expression tag
His 323	-	expression tag
His 324	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	36532.3
Non-Polymers*	Number of molecules	1
	Total formula weight	228.6
All*	Total formula weight	36760.9

*Water molecules are not included.