3KL3

Crystal structure of Ligand bound XynC

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Glucuronoxylanase xynC	polymer	401	45431.5	4	UniProt (Q45070)	Bacillus subtilis	Glucuronoxylan xylanohydrolase, Endoxylanase xynC
2	E, H (A, B)	alpha-D-glucopyranuronic acid	non-polymer		194.1	2	Chemie (GCU)
3	F, I (A, B)	D-HISTIDINE	non-polymer		156.2	2	Chemie (DHI)
4	G (B)	beta-D-glucopyranuronic acid	non-polymer		194.1	1	Chemie (BDP)
5	J, K (B, C)	TETRAETHYLENE GLYCOL	non-polymer		194.2	2	Chemie (PG4)
6	L, M, N (A, B, C)	water	water		18.0	457	Chemie (HOH)

Sequence modifications

A, B, C, D: 2 - 391 (UniProt: Q45070)

PDB	External Database	Details
Met 1	-	expression tag
Leu 392	-	expression tag
Glu 393	-	expression tag
His 394	-	expression tag
His 395	-	expression tag
His 396	-	expression tag
His 397	-	expression tag
His 398	-	expression tag
His 399	-	expression tag
His 400	-	expression tag
His 401	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	181725.9
Non-Polymers*	Number of molecules	7
	Total formula weight	1283.2
All*	Total formula weight	183009.1

*Water molecules are not included.