8SYD

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 and UDP-N-acetylglucosamine at pH 6

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	385	43278.4	2	UniProt (Q72KY0)	Thermus thermophilus HB27
2	C, F (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)
3	D, G (A, B)	URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE	non-polymer		607.4	2	Chemie (UD1)
4	E, H (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
5	I, J (A, B)	water	water		18.0	274	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -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
Ser -9	-	expression tag
Ser -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
His 0	-	expression tag
Asn 98	Asp 98	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	86556.8
Non-Polymers*	Number of molecules	6
	Total formula weight	2610.4
All*	Total formula weight	89167.2

*Water molecules are not included.