3C5E

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

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Acyl-coenzyme A synthetase ACSM2A, mitochondrial precursor	polymer	570	63334.6	1	UniProt (Q08AH3) Pfam (PF00501) Pfam (PF13193)	Homo sapiens (human)	Acyl-CoA synthetase medium-chain family member 2A, Middle-chain acyl-CoA synthetase 2A, Butyrate-CoA ligase 2A, Butyryl coenzyme A synthetase 2A
2	B, C (A)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
3	D, E (A)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
4	F, G, H, I (A)	UNKNOWN LIGAND	non-polymer			4	Chemie (UNL)
5	J (A)	ADENOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	1	Chemie (ATP)
6	K (A)	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		122.1	1	Chemie (TRS)
7	L (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
8	M (A)	water	water		18.0	776	Chemie (HOH)

Sequence modifications

A: 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	1
	Total formula weight	63334.6
Non-Polymers*	Number of molecules	11
	Total formula weight	840.9
All*	Total formula weight	64175.5

*Water molecules are not included.