5I0K

Insights into Substrate Modification by Dehydratases from Type I Polyketide Synthases

Replaces:  4P7P

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Phthiocerol synthesis polyketide synthase type I PpsC	polymer	322	34311.3	1	UniProt (P96202) Pfam (PF21089) Pfam (PF14765)	Mycobacterium tuberculosis	Beta-ketoacyl-acyl-carrier-protein synthase I
2	B (A)	CROTONYL COENZYME A	non-polymer		835.6	1	Chemie (COO)

Sequence modifications

A: 921 - 1217 (UniProt: P96202)

PDB	External Database	Details
Met 900	-	initiating methionine
Gly 901	-	expression tag
Ser 902	-	expression tag
Ser 903	-	expression tag
His 904	-	expression tag
His 905	-	expression tag
His 906	-	expression tag
His 907	-	expression tag
His 908	-	expression tag
His 909	-	expression tag
Ser 910	-	expression tag
Ser 911	-	expression tag
Gly 912	-	expression tag
Leu 913	-	expression tag
Val 914	-	expression tag
Pro 915	-	expression tag
Arg 916	-	expression tag
Gly 917	-	expression tag
Ser 918	-	expression tag
His 919	-	expression tag
Met 920	-	expression tag
Phe 959	His 959	engineered mutation
Thr 1218	-	expression tag
Ser 1219	-	expression tag
Gly 1220	-	expression tag
Ser 1221	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	34311.3
Non-Polymers*	Number of molecules	1
	Total formula weight	835.6
All*	Total formula weight	35146.9

*Water molecules are not included.