5GY1

Crystal structure of endoglucanase CelQ from Clostridium thermocellum complexed with cellotriose

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Glucanase	polymer	610	69168.6	2	UniProt (Q9AJF8) Pfam (PF00759) Pfam (PF00942) In PDB	Clostridium thermocellum
2	C, D	beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose	branched		504.4	2	In PDB BIRD (PRD_900021) GlyTouCan (G14338VK)		beta-cellotriose
3	A, B	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
4	A, B	CHLORIDE ION	non-polymer		35.5	11	Chemie (CL)
5	A, B	BROMIDE ION	non-polymer		79.9	5	Chemie (BR)
6		water	water		18.0	905	Chemie (HOH)

Sequence modifications

A, B: 28 - 628 (UniProt: Q9AJF8)

PDB	External Database	Details
Met 27	-	initiating methionine
Ala 79	Asp 79	engineered mutation
Thr 251	Ile 251	engineered mutation
Leu 629	-	expression tag
Glu 630	-	expression tag
His 631	-	expression tag
His 632	-	expression tag
His 633	-	expression tag
His 634	-	expression tag
His 635	-	expression tag
His 636	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	138337.2
Branched	Number of molecules	2
	Total formula weight	1008.9
Non-Polymers*	Number of molecules	20
	Total formula weight	949.8
All*	Total formula weight	140295.9

*Water molecules are not included.