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) PubChem (92856) PubChem (49858428) PubChem (44129625) PubChem (644064) PubChem (592) PubChem (87657467) PubChem (5280381) PubChem (5462197) PubChem (5497143) PubChem (125032976) PubChem (125032975) PubChem (135071021) PubChem (137349110) PubChem (11535197) PubChem (124929931) PubChem (124929932) PubChem (171391426) PubChem (129316461) PubChem (136212782) PubChem (163337851)

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.