9LQL

Structure of STG-hydrolyzing beta-glucosidase 1 (PSTG1) complexed with heptyl 1-thio-beta-D-glucopyranoside

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	polymer	780	86630.4	4	UniProt (D6RVX0)	Paenibacillus relictisesami
2	E, H, I (A, B, C)	heptyl 1-thio-beta-D-glucopyranoside	non-polymer		294.4	3	Chemie (HTG)
3	F, J, L (A, C, D)	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
4	G, K (B, C)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
5	M (D)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
6	N, O, P, Q (A, B, C, D)	water	water		18.0	109	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 753 (UniProt: D6RVX0)

PDB	External Database	Details
Met -26	-	initiating methionine
Asn -25	-	expression tag
His -24	-	expression tag
Lys -23	-	expression tag
Val -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
Ile -15	-	expression tag
Glu -14	-	expression tag
Gly -13	-	expression tag
Arg -12	-	expression tag
His -11	-	expression tag
Met -10	-	expression tag
Glu -9	-	expression tag
Leu -8	-	expression tag
Gly -7	-	expression tag
Thr -6	-	expression tag
Leu -5	-	expression tag
Glu -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
Glu -1	-	expression tag
Phe 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	346521.8
Non-Polymers*	Number of molecules	9
	Total formula weight	1387.6
All*	Total formula weight	347909.4

*Water molecules are not included.