9HLY

Crystal structure of Arabidopsis thaliana Acyl-ACP Thioesterase (At-FatA) complexed with N-(3-chlorophenyl)-2-[4-(2-fluorophenyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]-2-methyl-propanamide

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, B (AaA, BaB)	Oleoyl-acyl carrier protein thioesterase 1, chloroplastic	polymer	295	33615.6	2	UniProt (Q42561) Pfam (PF01643) Pfam (PF20791)	Arabidopsis thaliana (thale cress)	18:0-acyl-carrier protein thioesterase,18:0-ACP thioesterase,Acyl-[acyl-carrier-protein] hydrolase
2	C, F (AaA, BaB)	~{N}-(3-chlorophenyl)-2-[4-(2-fluorophenyl)-3-methoxy-5-oxidanylidene-2~{H}-pyrrol-1-yl]-2-methyl-propanamide	non-polymer		402.8	2	Chemie (A1IV8)
3	D, E (AaA)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
4	G, H (AaA, BaB)	water	water		18.0	29	Chemie (HOH)

Sequence modifications

AaA, BaB: 75 - 362 (UniProt: Q42561)

PDB	External Database	Details
Met 74	-	initiating methionine
His 363	-	expression tag
His 364	-	expression tag
His 365	-	expression tag
His 366	-	expression tag
His 367	-	expression tag
His 368	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	67231.2
Non-Polymers*	Number of molecules	4
	Total formula weight	997.8
All*	Total formula weight	68229.0

*Water molecules are not included.