8CG6

The ACP crosslinked to the SAT of the cercosporin fungal non-reducing polyketide synthase (NR-PKS) CTB1 (ACP:SAT-KS-MAT)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Non-reducing polyketide synthase CTB1	polymer	1304	140220.0	2	UniProt (Q6DQW3) Pfam (PF16073) Pfam (PF00109) Pfam (PF02801) Pfam (PF22621) Pfam (PF00698) In PDB	Cercospora nicotianae	Cercosporin toxin biosynthesis cluster protein 1
2	C	Acyl carrier protein (ACP) of Non-reducing polyketide synthase CTB1	polymer	88	9892.8	1	UniProt (Q6DQW3) Pfam (PF00550) In PDB	Cercospora nicotianae	Cercosporin toxin biosynthesis cluster protein 1
3	C	N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-[2-(propanoylamino)ethyl]-beta-alaninamide	non-polymer		397.4	1	Chemie (42X)

Sequence modifications

A, B: 1 - 1293 (UniProt: Q6DQW3)

PDB	External Database	Details
Ala 321	Thr 321	engineered mutation
Ala 688	His 688	engineered mutation
Ala 1010	Ser 1010	engineered mutation
Ala 1294	-	expression tag
Ala 1295	-	expression tag
Ala 1296	-	expression tag
Leu 1297	-	expression tag
Glu 1298	-	expression tag
His 1299	-	expression tag
His 1300	-	expression tag
His 1301	-	expression tag
His 1302	-	expression tag
His 1303	-	expression tag
His 1304	-	expression tag

C: 5 - 88 (UniProt: Q6DQW3)

PDB	External Database	Details
Gly 1	-	expression tag
Ser 2	-	expression tag
His 3	-	expression tag
Met 4	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	290332.8
Non-Polymers*	Number of molecules	1
	Total formula weight	397.4
All*	Total formula weight	290730.2

*Water molecules are not included.