5GXZ

Crystal structure of endoglucanase CelQ from Clostridium thermocellum complexed with cellobiose and 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	69212.6	2	UniProt (Q9AJF8) Pfam (PF00759) Pfam (PF00942) In PDB	Clostridium thermocellum
2	C, E	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	D, F	beta-D-glucopyranose-(1-4)-beta-D-glucopyranose	branched		342.3	2	In PDB BIRD (PRD_900005) GlyTouCan (G84824ZO)		beta-cellobiose
4	A, B	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
5	A, B	CHLORIDE ION	non-polymer		35.5	6	Chemie (CL)
6	A, B	BROMIDE ION	non-polymer		79.9	6	Chemie (BR)
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	1237	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	4
	Total formula weight	1693.5
Non-Polymers*	Number of molecules	17
	Total formula weight	1162.8
All*	Total formula weight	141281.5

*Water molecules are not included.