3DAY

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

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Acyl-coenzyme A synthetase ACSM2A, mitochondrial precursor	polymer	570	63334.6	1	UniProt (Q08AH3) Pfam (PF00501) Pfam (PF13193) In PDB	Homo sapiens	Acyl-CoA synthetase medium-chain family member 2A, Middle-chain acyl-CoA synthetase 2A, Butyrate-CoA ligase 2A, Butyryl coenzyme A synthetase 2A
2	A	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
3	A	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
4	A	DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER	non-polymer		505.2	1	Chemie (APC)
5	A	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		122.1	1	Chemie (TRS)
6	A	UNKNOWN ATOM OR ION	non-polymer			11	Chemie (UNX)
7	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
8		water	water		18.0	763	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	19
	Total formula weight	874.4
All*	Total formula weight	64209.0

*Water molecules are not included.