6T0E

The glucuronoyl esterase OtCE15A S267A variant from Opitutus terrae in complex with benzyl D-glucuronoate and D-glucuronate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	glucuronoyl esterase OtCE15A	polymer	421	46132.5	2	UniProt (B1ZMF4) In PDB	Opitutus terrae (strain DSM 11246 / JCM 15787 / PB90-1)
2	A, B	alpha-D-glucopyranuronic acid	non-polymer		194.1	2	Chemie (GCU)
3	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
4	A	benzyl alpha-D-glucopyranuronate	non-polymer		284.3	1	Chemie (M55)
5	A	TETRAETHYLENE GLYCOL	non-polymer		194.2	1	Chemie (PG4)
6	B, A	1,2-ETHANEDIOL	non-polymer		62.1	34	Chemie (EDO)
7	A, B	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	6	Chemie (PEG)
8	A, B	TRIETHYLENE GLYCOL	non-polymer		150.2	5	Chemie (PGE)
9	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
10	B, A	trimethylamine oxide	non-polymer		75.1	7	Chemie (TMO)
11	B, A	DIMETHYL SULFOXIDE	non-polymer		78.1	5	Chemie (DMS)
12		water	water		18.0	412	Chemie (HOH)

Sequence modifications

A, B: 33 - 432 (UniProt: B1ZMF4)

PDB	External Database	Details
Met 12	-	initiating methionine
Gly 13	-	expression tag
Ser 14	-	expression tag
Ser 15	-	expression tag
His 16	-	expression tag
His 17	-	expression tag
His 18	-	expression tag
His 19	-	expression tag
His 20	-	expression tag
His 21	-	expression tag
Ser 22	-	expression tag
Ser 23	-	expression tag
Glu 24	-	expression tag
Asn 25	-	expression tag
Leu 26	-	expression tag
Tyr 27	-	expression tag
Phe 28	-	expression tag
Gln 29	-	expression tag
Gly 30	-	expression tag
His 31	-	expression tag
Ser 32	-	expression tag
Ala 267	Ser 267	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	92265.1
Non-Polymers*	Number of molecules	63
	Total formula weight	5340.9
All*	Total formula weight	97605.9

*Water molecules are not included.