3EQ6

Crystal structure of human acyl-CoA synthetase medium-chain family member 2A (L64P mutation) in a ternary complex with products

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Acyl-coenzyme A synthetase ACSM2A	polymer	570	63334.6	2	UniProt (Q08AH3) Pfam (PF00501) Pfam (PF13193) In PDB	Homo sapiens (Human)	Acyl-CoA synthetase medium-chain family member 2A, Middle-chain acyl-CoA synthetase 2A, Butyryl coenzyme A synthetase 2A, Butyrate-CoA ligase 2A
2	A, B	ADENOSINE MONOPHOSPHATE	non-polymer		347.2	2	Chemie (AMP)
3	A, B	Butyryl Coenzyme A	non-polymer		837.6	2	Chemie (BCO)
4		water	water		18.0	447	Chemie (HOH)

Sequence modifications

A, B: 32 - 577 (UniProt: Q08AH3)

PDB	External Database	Details
Met 8	-	expression tag
Gly 9	-	expression tag
His 10	-	expression tag
His 11	-	expression tag
His 12	-	expression tag
His 13	-	expression tag
His 14	-	expression tag
His 15	-	expression tag
Ser 16	-	expression tag
Ser 17	-	expression tag
Gly 18	-	expression tag
Val 19	-	expression tag
Asp 20	-	expression tag
Leu 21	-	expression tag
Gly 22	-	expression tag
Thr 23	-	expression tag
Glu 24	-	expression tag
Asn 25	-	expression tag
Leu 26	-	expression tag
Tyr 27	-	expression tag
Phe 28	-	expression tag
Gln 29	-	expression tag
Ser 30	-	expression tag
Met 31	-	expression tag
Pro 64	Leu 64	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	126669.1
Non-Polymers*	Number of molecules	4
	Total formula weight	2369.7
All*	Total formula weight	129038.8

*Water molecules are not included.