5GXY

Crystal structure of endoglucanase CelQ from Clostridium thermocellum complexed with cellobiose and Tris

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	69212.6	2	UniProt (Q9AJF8) Pfam (PF00759) Pfam (PF00942) In PDB	Clostridium thermocellum
2	C, D	beta-D-glucopyranose-(1-4)-beta-D-glucopyranose	branched		342.3	2	In PDB BIRD (PRD_900005) GlyTouCan (G84824ZO)		beta-cellobiose
3	A, B	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
4	A, B	CHLORIDE ION	non-polymer		35.5	9	Chemie (CL)
5	A, B	BROMIDE ION	non-polymer		79.9	6	Chemie (BR)
6	A, B	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		122.1	2	Chemie (TRS)
7	B	2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL	non-polymer		310.4	1	Chemie (7PE)
8		water	water		18.0	1402	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met 27	-	initiating methionine
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	138425.2
Branched	Number of molecules	2
	Total formula weight	684.6
Non-Polymers*	Number of molecules	22
	Total formula weight	1513.5
All*	Total formula weight	140623.3

*Water molecules are not included.