4G4J

Crystal structure of glucuronoyl esterase S213A mutant from Sporotrichum thermophile in complex with methyl 4-O-methyl-beta-D-glucopyranuronate determined at 2.35 A resolution

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	4-O-methyl-glucuronoyl methylesterase	polymer	433	46046.2	1	UniProt (G2QJR6) Pfam (PF22244)	Myceliophthora thermophila
2	B (A)	methyl 4-O-methyl-beta-D-glucopyranuronate	non-polymer		222.2	1	Chemie (MCU)
3	C, D, E, F, G... (A)	1,2-ETHANEDIOL	non-polymer		62.1	20	Chemie (EDO)
4	W, X (A)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
5	Y (A)	water	water		18.0	212	Chemie (HOH)

Sequence modifications

A: 1 - 397 (UniProt: G2QJR6)

PDB	External Database	Details
Ser -13	-	insertion
Met -12	-	insertion
Ala -11	-	insertion
Pro -10	-	insertion
Met -9	-	insertion
Asn -8	-	insertion
His -7	-	insertion
Ile -6	-	insertion
Phe -5	-	insertion
Glu -4	-	insertion
Arg -3	-	insertion
Gln -2	-	insertion
Asp -1	-	insertion
Thr 0	-	insertion
Ala 213	Ser 213	engineered mutation
Leu 398	-	SEE REMARK 999
Glu 399	-	SEE REMARK 999
Gln 400	-	SEE REMARK 999
Lys 401	-	SEE REMARK 999
Leu 402	-	SEE REMARK 999
Ile 403	-	SEE REMARK 999
Ser 404	-	SEE REMARK 999
Glu 405	-	SEE REMARK 999
Glu 406	-	SEE REMARK 999
Asp 407	-	SEE REMARK 999
Leu 408	-	SEE REMARK 999
Asn 409	-	SEE REMARK 999
Ser 410	-	SEE REMARK 999
Ala 411	-	SEE REMARK 999
Val 412	-	SEE REMARK 999
Asp 413	-	SEE REMARK 999
His 414	-	expression tag
His 415	-	expression tag
His 416	-	expression tag
His 417	-	expression tag
His 418	-	expression tag
His 419	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	46046.2
Non-Polymers*	Number of molecules	23
	Total formula weight	1647.7
All*	Total formula weight	47693.9

*Water molecules are not included.