9CCR

Crystal structure of the EspE7 thioesterase mutant R35A from the esperamicin biosynthetic pathway at 1.6 A

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 (A, B, C, D)	Thioesterase	polymer	180	20232.8	4	UniProt (A0A2D0TCG5)	Actinomadura verrucosospora
2	E, G, I, K (A, B, C, D)	POTASSIUM ION	non-polymer		39.1	4	Chemie (K)
3	F, H, J, L (A, B, C, D)	DODECYL-COA	non-polymer		949.8	4	Chemie (DCC)
4	M, N, O, P (A, B, C, D)	water	water		18.0	237	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 156 (UniProt: A0A2D0TCG5)

PDB	External Database	Details
Met -23	-	initiating methionine
Gly -22	-	expression tag
Ser -21	-	expression tag
Ser -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
Ser -13	-	expression tag
Ser -12	-	expression tag
Gly -11	-	expression tag
Leu -10	-	expression tag
Val -9	-	expression tag
Pro -8	-	expression tag
Arg -7	-	expression tag
Gly -6	-	expression tag
Ser -5	-	expression tag
His -4	-	expression tag
Met -3	-	expression tag
Arg -2	-	expression tag
Ala -1	-	expression tag
Tyr 0	-	expression tag
Ala 35	Arg 38	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	80931.2
Non-Polymers*	Number of molecules	8
	Total formula weight	3955.7
All*	Total formula weight	84887.0

*Water molecules are not included.