9WNY

EstS1 esterase active site mutant S154A in complex with Bis(2-hydroxyethyl) terephthalate (BHET)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Alpha/beta hydrolase fold-3 domain-containing protein	polymer	310	34160.8	1	UniProt (G8TV28) Pfam (PF07859)	Sulfobacillus acidophilus DSM 10332	ESTS1 phthalate ester degradaring esterase
2	B, C (A)	bis(2-hydroxyethyl) benzene-1,4-dicarboxylate	non-polymer		254.2	2	Chemie (C8X) PubChem (13739)
3	D (A)	water	water		18.0	95	Chemie (HOH)

Sequence modifications

A: 1 - 304 (UniProt: G8TV28)

PDB	External Database	Details
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
Ala 154	Ser 154	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	34160.8
Non-Polymers*	Number of molecules	2
	Total formula weight	508.5
All*	Total formula weight	34669.3

*Water molecules are not included.