3F5O

Crystal Structure of hTHEM2(undecan-2-one-CoA) complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E... (A, B, C, D, E...)	Thioesterase superfamily member 2	polymer	148	16052.6	8	UniProt (Q9NPJ3) Pfam (PF03061)	Homo sapiens (human)
2	CA, GA, I, O, S... (G, H, A, C, D...)	CHLORIDE ION	non-polymer		35.5	7	Chemie (CL)
3	AA, DA, HA, J, L... (F, G, H, A, B...)	undecan-2-one	non-polymer		170.3	8	Chemie (UOC)
4	BA, EA, IA, K, M... (F, G, H, A, B...)	COENZYME A	non-polymer		767.5	8	Chemie (COA)
5	FA, N, R, Y (G, B, C, E)	HEXAETHYLENE GLYCOL	non-polymer		282.3	4	Chemie (P6G)
6	JA, KA, LA, MA, NA... (A, B, C, D, E...)	water	water		18.0	850	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H: 1 - 140 (UniProt: Q9NPJ3)

PDB	External Database	Details
Leu 141	-	expression tag
Glu 142	-	expression tag
His 143	-	expression tag
His 144	-	expression tag
His 145	-	expression tag
His 146	-	expression tag
His 147	-	expression tag
His 148	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	128421.2
Non-Polymers*	Number of molecules	27
	Total formula weight	8880.1
All*	Total formula weight	137301.3

*Water molecules are not included.