9SCK

Structure of Carnitine-O-acetyltransferase in complex with 6-benzyl-2-(naphthalen-1-yl)thieno[2,3-c]pyridin-6-ium

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Carnitine O-acetyltransferase	polymer	616	69902.9	1	UniProt (P43155) Pfam (PF00755)	Homo sapiens (human)	Carnitine acetylase,Carnitine acetyltransferase,CAT,CrAT
2	B (A)	2-naphthalen-2-yl-6-(phenylmethyl)thieno[2,3-c]pyridin-6-ium	non-polymer		352.5	1	Chemie (A1JM7)
3	C (A)	ACETATE ION	non-polymer		59.0	1	Chemie (ACT) PubChem (175)
4	D, E, F, G, I... (A)	DIMETHYL SULFOXIDE	non-polymer		78.1	6	Chemie (DMS) PubChem (679)
5	H, K (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG) PubChem (8117)
6	J, M (A)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
7	N (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA) PubChem (923)
8	O (A)	water	water		18.0	585	Chemie (HOH)

Sequence modifications

A: 12 - 605 (UniProt: P43155)

PDB	External Database	Details
Met 1	-	initiating methionine
Arg 2	-	expression tag
Gly 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
Thr 11	-	expression tag
Pro 13	Ala 34	engineered mutation
Met 351	Leu 372	engineered mutation
Thr 513	Met 534	engineered mutation
Ile 606	-	expression tag
Ser 607	-	expression tag
Glu 608	-	expression tag
Glu 609	-	expression tag
Asp 610	-	expression tag
Leu 611	-	expression tag
Ser 612	-	expression tag
Leu 613	-	expression tag
Ile 614	-	expression tag
Ser 615	-	expression tag
Gly 616	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	69902.9
Non-Polymers*	Number of molecules	13
	Total formula weight	1239.7
All*	Total formula weight	71142.5

*Water molecules are not included.