4U5I

Complex structure of mutant CtCel5E (E314A) 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	Endoglucanase H	polymer	403	46192.4	2	UniProt (P16218) Pfam (PF00150) In PDB	Clostridium thermocellum ATCC 27405	Cellulase H,Endo-1,4-beta-glucanase H,EgH, CEL5E
2	C, D	beta-D-xylopyranose-(1-4)-beta-D-xylopyranose	branched		282.2	2	In PDB BIRD (PRD_900116) GlyTouCan (G87728WL)		4beta-beta-xylobiose
3		water	water		18.0	260	Chemie (HOH)

Sequence modifications

A, B: 39 - 403 (UniProt: P16218)

PDB	External Database	Details
Met 1	-	expression tag
Gly 2	-	expression tag
Ser 3	-	expression tag
Ser 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
His 7	-	expression tag
His 8	-	expression tag
His 9	-	expression tag
His 10	-	expression tag
Ser 11	-	expression tag
Ser 12	-	expression tag
Gly 13	-	expression tag
Leu 14	-	expression tag
Val 15	-	expression tag
Pro 16	-	expression tag
Arg 17	-	expression tag
Gly 18	-	expression tag
Ser 19	-	expression tag
His 20	-	expression tag
Met 21	-	expression tag
Ala 22	-	expression tag
Ser 23	-	expression tag
Met 24	-	expression tag
Thr 25	-	expression tag
Gly 26	-	expression tag
Gly 27	-	expression tag
Gln 28	-	expression tag
Gln 29	-	expression tag
Met 30	-	expression tag
Gly 31	-	expression tag
Arg 32	-	expression tag
Ile 33	-	expression tag
Glu 34	-	expression tag
Gly 35	-	expression tag
Arg 36	-	expression tag
Glu 37	-	expression tag
Phe 38	-	expression tag
Ala 314	Glu 565	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	92384.8
Branched	Number of molecules	2
	Total formula weight	564.5
All*	Total formula weight	92949.3

*Water molecules are not included.