3P3I

Crystal structure of the F36A mutant of the fluoroacetyl-CoA-specific thioesterase FlK in complex with fluoroacetate and CoA

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...)	Fluoroacetyl coenzyme A thioesterase	polymer	143	15489.6	6	UniProt (Q1EMV2) Pfam (PF22636)	Streptomyces cattleya
2	G, I (A, C)	fluoroacetic acid	non-polymer		78.0	2	Chemie (FAH)
3	H, J (B, D)	COENZYME A	non-polymer		767.5	2	Chemie (COA)
4	K, L, M, N, O... (A, B, C, D, E...)	water	water		18.0	271	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F: 1 - 139 (UniProt: Q1EMV2)

PDB	External Database	Details
Gly -3	-	expression tag
Thr -2	-	expression tag
Gly -1	-	expression tag
Ala 0	-	expression tag
Ala 36	Phe 36	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	92937.8
Non-Polymers*	Number of molecules	4
	Total formula weight	1691.2
All*	Total formula weight	94628.9

*Water molecules are not included.