5N6T

Thermotoga maritima family 1 glycoside hydrolase complexed with a cyclophellitol analogue transition state mimic

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Beta-glucosidase A	polymer	468	53940.6	2	UniProt (Q08638) Pfam (PF00232) In PDB	Thermotoga maritima	Beta-D-glucoside glucohydrolase,Cellobiase,Gentiobiase
2	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
3	A, B	1,2-ETHANEDIOL	non-polymer		62.1	6	Chemie (EDO)
4	A, B	[(1~{R},2~{R},3~{R},4~{S},5~{R},6~{S})-3,4,5-tris(oxidanyl)-7-oxabicyclo[4.1.0]heptan-2-yl]methanediazonium	non-polymer		187.2	2	Chemie (8P2)
5		water	water		18.0	262	Chemie (HOH)

Sequence modifications

A, B: 2 - 446 (UniProt: Q08638)

PDB	External Database	Details
Met -21	-	initiating methionine
Gly -20	-	expression tag
Ser -19	-	expression tag
Ser -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
Ser -11	-	expression tag
Ser -10	-	expression tag
Gly -9	-	expression tag
Leu -8	-	expression tag
Val -7	-	expression tag
Pro -6	-	expression tag
Arg -5	-	expression tag
Gly -4	-	expression tag
Ser -3	-	expression tag
His -2	-	expression tag
Met -1	-	expression tag
Ala 0	-	expression tag
Ser 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	107881.3
Non-Polymers*	Number of molecules	9
	Total formula weight	782.2
All*	Total formula weight	108663.5

*Water molecules are not included.