6SXY

STRUCTURE OF S192A-ESTER-HYDROLASE EH3 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) COMPLEXED WITH METHYL (2S)-2-PHENYLPROPANOATE

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Esterase	polymer	368	40201.5	2	UniProt (A0A2K8JN75) Pfam (PF07859) In PDB	uncultured bacterium
2	A, B	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	3	Chemie (PEG)
3	A, B	methyl (2~{S})-2-phenylpropanoate	non-polymer		164.2	2	Chemie (LXH)
4	A, B	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
5		water	water		18.0	325	Chemie (HOH)

Sequence modifications

A, B: 2 - 348 (UniProt: A0A2K8JN75)

PDB	External Database	Details
Met -18	-	initiating methionine
His -17	-	expression tag
His -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
His -9	-	expression tag
His -8	-	expression tag
Leu -7	-	expression tag
Glu -6	-	expression tag
Val -5	-	expression tag
Leu -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
Pro 0	-	expression tag
Ser 1	-	expression tag
Ala 192	Ser 192	conflict
Ala 349	-	insertion

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	80403.1
Non-Polymers*	Number of molecules	8
	Total formula weight	923.0
All*	Total formula weight	81326.1

*Water molecules are not included.