8JG2

Crystal structure of a biosynthetic thiolase from Megasphaera hexanoica soaked with hexanoyl-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	Acetyl-CoA C-acetyltransferase	polymer	434	46091.7	2	UniProt (A0A848BQU5) Pfam (PF00108) Pfam (PF02803) In PDB	Megasphaera hexanoica	Biosynthetic thiolase
2	A, B	COENZYME A	non-polymer		767.5	2	Chemie (COA)
3	A, B	ACETATE ION	non-polymer		59.0	2	Chemie (ACT)
4		water	water		18.0	624	Chemie (HOH)

Sequence modifications

A, B: 1 - 396 (UniProt: A0A848BQU5)

PDB	External Database	Details
Met -24	-	initiating methionine
Ser -23	-	expression tag
Tyr -22	-	expression tag
Tyr -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
Asp -14	-	expression tag
Tyr -13	-	expression tag
Asp -12	-	expression tag
Ile -11	-	expression tag
Pro -10	-	expression tag
Thr -9	-	expression tag
Thr -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
His 0	-	expression tag
Ser 88	Cys 88	engineered mutation
Leu 397	-	expression tag
Glu 398	-	expression tag
Ala 399	-	expression tag
Cys 400	-	expression tag
Gly 401	-	expression tag
Thr 402	-	expression tag
Lys 403	-	expression tag
Leu 404	-	expression tag
Gly 405	-	expression tag
Cys 406	-	expression tag
Phe 407	-	expression tag
Gly 408	-	expression tag
Gly 409	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	92183.5
Non-Polymers*	Number of molecules	4
	Total formula weight	1653.2
All*	Total formula weight	93836.6

*Water molecules are not included.