6RU1

Crystal Structure of Glucuronoyl Esterase from Cerrena unicolor inactive S270A variant in complex with the aldouronic acid Um4X

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	4-O-methyl-glucuronoyl methylesterase	polymer	401	43210.9	2	UniProt (A0A0A7EQR3) Pfam (PF22244) In PDB	Cerrena unicolor	Glucuronoyl esterase,GE
2	C	4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose	branched		472.4	1	In PDB GlyTouCan (G78055TN)
3	A, B	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
4	A	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
5	A, B	GLYCEROL	non-polymer		92.1	7	Chemie (GOL)
6	B	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
7		water	water		18.0	734	Chemie (HOH)

Sequence modifications

A, B: 79 - 458 (UniProt: A0A0A7EQR3)

PDB	External Database	Details
Glu 73	-	expression tag
Ala 74	-	expression tag
Glu 75	-	expression tag
Ala 76	-	expression tag
Glu 77	-	expression tag
Phe 78	-	expression tag
Ala 270	Ser 286	engineered mutation
Glu 459	-	expression tag
Asn 460	-	expression tag
Leu 461	-	expression tag
Tyr 462	-	expression tag
Phe 463	-	expression tag
Gln 464	-	expression tag
Gly 465	-	expression tag
Val 466	-	expression tag
Asp 467	-	expression tag
His 468	-	expression tag
His 469	-	expression tag
His 470	-	expression tag
His 471	-	expression tag
His 472	-	expression tag
His 473	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	86421.9
Branched	Number of molecules	1
	Total formula weight	472.4
Non-Polymers*	Number of molecules	11
	Total formula weight	1172.1
All*	Total formula weight	88066.4

*Water molecules are not included.