5IN8

Crystal structure of Q151H Aspergillus terreus aristolochene synthase

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)	Aristolochene synthase	polymer	314	36231.4	4	UniProt (Q9UR08)	Aspergillus terreus	AS,Sesquiterpene cyclase
2	E, I, M, N, O... (A, B, C)	GLYCEROL	non-polymer		92.1	7	Chemie (GOL) PubChem (753)
3	F, G, K, L, P... (A, B, C, D)	MAGNESIUM ION	non-polymer		24.3	8	Chemie (MG) PubChem (888)
4	H, R, W (A, C, D)	PHOSPHATE ION	non-polymer		95.0	3	Chemie (PO4) PubChem (1061)
5	J (B)	PYROPHOSPHATE 2-	non-polymer		176.0	1	Chemie (POP) PubChem (4995)
6	AA, X, Y, Z (D, A, B, C)	water	water		18.0	705	Chemie (HOH)

Sequence modifications

A, B, C, D: 8 - 314 (UniProt: Q9UR08)

PDB	External Database	Details
Met 1	-	initiating methionine
His 2	-	expression tag
His 3	-	expression tag
His 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
His 7	-	expression tag
His 151	Gln 157	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	144925.6
Non-Polymers*	Number of molecules	19
	Total formula weight	1300.0
All*	Total formula weight	146225.6

*Water molecules are not included.