4DOD

The structure of Cbescii CelA GH9 module

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	1,4-beta-glucanase	polymer	475	53319.0	1	UniProt (P96311) Pfam (PF00759) In PDB	Caldicellulosiruptor bescii
2	A	1,4-DIETHYLENE DIOXIDE	non-polymer		88.1	1	Chemie (DIO)
3	A	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
4	A	1,2-ETHANEDIOL	non-polymer		62.1	11	Chemie (EDO)
5	A	GLYCEROL	non-polymer		92.1	10	Chemie (GOL)
6	A	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
7		water	water		18.0	614	Chemie (HOH)

Sequence modifications

A: 24 - 475 (UniProt: P96311)

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
Ala 176	Thr 153	conflict
Thr 313	Ile 290	conflict

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	53319.0
Non-Polymers*	Number of molecules	27
	Total formula weight	2116.1
All*	Total formula weight	55435.1

*Water molecules are not included.