1U0W

An Aldol Switch Discovered in Stilbene Synthases Mediates Cyclization Specificity of Type III Polyketide Synthases: 18xCHS+resveratrol Structure

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)	Chalcone synthase 2	polymer	393	42874.3	4	UniProt (P30074)	Medicago sativa	Naringenin-chalcone synthase 2
2	E, F, G, H (A, B, C, D)	RESVERATROL	non-polymer		228.2	4	Chemie (STL)
3	I, J, K, L (A, B, C, D)	water	water		18.0	1190	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 389 (UniProt: P30074)

PDB	External Database	Details
Gly -3	-	cloning artifact
Ser -2	-	cloning artifact
His -1	-	cloning artifact
Gly 0	-	cloning artifact
Ala 96	Asp 96	engineered mutation
Leu 98	Val 98	engineered mutation
Ala 99	Val 99	engineered mutation
Met 100	Val 100	engineered mutation
Ser 131	Thr 131	engineered mutation
Thr 133	Ser 133	engineered mutation
Thr 134	Gly 134	engineered mutation
Pro 135	Val 135	engineered mutation
Leu 137	Met 137	engineered mutation
Val 157	Tyr 157	engineered mutation
Gly 158	Met 158	engineered mutation
Val 159	Met 159	engineered mutation
Phe 160	Tyr 160	engineered mutation
His 162	Gln 162	engineered mutation
Lys 268	Leu 268	engineered mutation
Gly 269	Lys 269	engineered mutation
Ala 270	Asp 270	engineered mutation
Asp 273	Gly 273	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	171497.3
Non-Polymers*	Number of molecules	4
	Total formula weight	913.0
All*	Total formula weight	172410.3

*Water molecules are not included.