8SY9

X-ray crystal structure of UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid-2-epimerase from Thermus thermophilus strain HB27, D98N variant in the presence of UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid, UDP-N-acetylglucosamine and UDP at pH 7

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid-2-epimerase	polymer	373	41994.1	2	UniProt (Q72KY0)	Thermus thermophilus HB27
2	C, E (A, B)	(2~{S},3~{S},4~{R},5~{R},6~{R})-4,5-diacetamido-6-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxane-2-carboxylic acid	non-polymer		662.4	2	Chemie (MJL) PubChem (24755535) PubChem (44237168) PubChem (24755534)
3	D (A)	URIDINE-5'-DIPHOSPHATE	non-polymer		404.2	1	Chemie (UDP) PubChem (25323044) PubChem (25323048) PubChem (44298965) PubChem (53486216) PubChem (60098857) PubChem (91746160) PubChem (92332560) PubChem (92332561) PubChem (92332562) PubChem (92332563) PubChem (93088131) PubChem (93630083) PubChem (57448939) PubChem (1158) PubChem (6031) PubChem (3084486) PubChem (6101632) PubChem (6604175) PubChem (11811538) PubChem (12049241)
4	F (B)	URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE	non-polymer		607.4	1	Chemie (UD1)
5	G, H (A, B)	water	water		18.0	151	Chemie (HOH)

Sequence modifications

A, B: 1 - 365 (UniProt: Q72KY0)

PDB	External Database	Details
Asn 98	Asp 98	engineered mutation
Leu 366	-	expression tag
Glu 367	-	expression tag
His 368	-	expression tag
His 369	-	expression tag
His 370	-	expression tag
His 371	-	expression tag
His 372	-	expression tag
His 373	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	83988.2
Non-Polymers*	Number of molecules	4
	Total formula weight	2336.3
All*	Total formula weight	86324.5

*Water molecules are not included.