5N6S

Thermotoga maritima family 1 Glycoside hydrolase complexed with Carba-Cyclophellitol 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, C, D (A, B, C, D)	Beta-glucosidase A	polymer	468	53940.6	4	UniProt (Q08638) Pfam (PF00232)	Thermotoga maritima	Beta-D-glucoside glucohydrolase,Cellobiase,Gentiobiase
2	AA, BA, CA, E, F... (C, A, D, B)	1,2-ETHANEDIOL	non-polymer		62.1	18	Chemie (EDO)
3	DA, H, I, KA, U... (C, A, D, B)	CHLORIDE ION	non-polymer		35.5	6	Chemie (CL)
4	J (A)	IMIDAZOLE	non-polymer		69.1	1	Chemie (IMD)
5	EA, K, LA, W (C, A, D, B)	azanylidene-[4-[[(1~{S},2~{R},3~{R},4~{R},5~{S},6~{S},7~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)-7-bicyclo[4.1.0]heptanyl]carbonylamino]butylimino]azanium	non-polymer		315.3	4	Chemie (8P5)
6	L, Y (A, B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
7	FA, X (C, B)	ACETATE ION	non-polymer		59.0	2	Chemie (ACT)
8	Z (B)	TRIETHYLENE GLYCOL	non-polymer		150.2	1	Chemie (PGE)
9	MA, NA, OA, PA (A, B, C, D)	water	water		18.0	403	Chemie (HOH)

Sequence modifications

A, B, C, D: 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	4
	Total formula weight	215762.6
Non-Polymers*	Number of molecules	34
	Total formula weight	3140.9
All*	Total formula weight	218903.5

*Water molecules are not included.