8XZZ

Structure of a xylanase Xyl-1 M4 E175A in complex with xylobiose

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)	Endo-1,4-beta-xylanase	polymer	201	21502.8	4	UniProt (Q0CMZ1) Pfam (PF00457)	Aspergillus terreus NIH2624
2	E (E)	beta-D-xylopyranose-(1-4)-beta-D-xylopyranose	branched		282.2	1	In PDB BIRD (PRD_900116) GlyTouCan (G87728WL)
3	F, G, H, I, N... (A, B, D)	ZINC ION	non-polymer		65.4	6	Chemie (ZN)
4	J, K, L, M, P... (B, C, D)	beta-D-xylopyranose	non-polymer		150.1	6	Chemie (XYP)
5	R, S, T, U (A, B, C, D)	water	water		18.0	740	Chemie (HOH)

Sequence modifications

A, B, C, D: 2 - 189 (UniProt: Q0CMZ1)

PDB	External Database	Details
Gly -11	-	expression tag
Ala -10	-	expression tag
Gly -9	-	expression tag
Ala -8	-	expression tag
Gly -7	-	expression tag
Ala -6	-	expression tag
Gly -5	-	expression tag
Ala -4	-	expression tag
Gly -3	-	expression tag
Ala -2	-	expression tag
Gly -1	-	expression tag
Met 0	-	expression tag
Glu 1	-	expression tag
Pro 31	Asp 62	conflict
Gln 34	Ala 65	conflict
Gln 118	Lys 149	conflict
His 168	Ala 199	conflict
Ala 176	Glu 207	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	86011.1
Branched	Number of molecules	1
	Total formula weight	282.2
Non-Polymers*	Number of molecules	12
	Total formula weight	1293.2
All*	Total formula weight	87586.6

*Water molecules are not included.