3AMQ

E134C-Cellobiose co-crystal of cellulase 12A from thermotoga maritima

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D	Endo-1,4-beta-glucanase	polymer	265	30753.6	4	UniProt (Q60032) Pfam (PF01670) In PDB	Thermotoga maritima	cellulase 12A
2	E, F, G, H	beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose	branched		342.3	4	In PDB BIRD (PRD_900023) GlyTouCan (G86802XL)		alpha-cellobiose
3	A, B, C	beta-D-glucopyranose	non-polymer		180.2	3	Chemie (BGC)
4		water	water		18.0	1015	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 257 (UniProt: Q60032)

PDB	External Database	Details
Met -7	-	expression tag
Gly -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
Cys 134	Glu 134	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	123014.6
Branched	Number of molecules	4
	Total formula weight	1369.2
Non-Polymers*	Number of molecules	3
	Total formula weight	540.5
All*	Total formula weight	124924.2

*Water molecules are not included.