8H6S

Structure of acyltransferase VinK in complex with the loading acyl carrier protein of vicenistatin PKS

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Malonyl-CoA-[acyl-carrier-protein] transacylase	polymer	343	38170.2	2	UniProt (Q76KY5) Pfam (PF21124)	Streptomyces halstedii
2	C, D (C, D)	Polyketide synthase modules 1-3	polymer	136	14712.7	2	UniProt (Q76KY0) Pfam (PF00550)	Streptomyces halstedii
3	E, F (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4	G, H (C, D)	N-[2-(acetylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide	non-polymer		383.3	2	Chemie (9EF)
5	I, J, K (A, B, C)	water	water		18.0	12	Chemie (HOH)

Sequence modifications

A, B: 1 - 327 (UniProt: Q76KY5)

PDB	External Database	Details
Met -15	-	initiating methionine
Asn -14	-	expression tag
His -13	-	expression tag
Lys -12	-	expression tag
Val -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
Ile -4	-	expression tag
Glu -3	-	expression tag
Gly -2	-	expression tag
Arg -1	-	expression tag
His 0	-	expression tag
Cys 106	Ser 106	engineered mutation

C, D: 22 - 136 (UniProt: Q76KY0)

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

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	105765.8
Non-Polymers*	Number of molecules	4
	Total formula weight	815.3
All*	Total formula weight	106581.0

*Water molecules are not included.