8PC7

STRUCTURE OF ESTER-HYDROLASE EH3 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) COMPLEXED WITH A DERIVATIVE OF BIPYRIDINE PHOSPHONATE

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Esterase	polymer	368	40217.5	4	UniProt (A0A2K8JN75)	metagenome
2	E, G, I (A, B, C)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	3	Chemie (PEG)
3	F, H, L, N (A, B, C, D)	hexyl-[2-(3-oxidanylpyridin-2-yl)pyridin-3-yl]oxy-phosphinic acid	non-polymer		336.3	4	Chemie (ZK8)
4	J, K, M (C, D)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
5	O, P, Q, R (A, B, C, D)	water	water		18.0	122	Chemie (HOH)

Sequence modifications

A, B, C, D: 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 349	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	160870.1
Non-Polymers*	Number of molecules	10
	Total formula weight	1939.9
All*	Total formula weight	162810.1

*Water molecules are not included.