2WD9

CRYSTAL STRUCTURE OF HUMAN ACYL-COA SYNTHETASE MEDIUM-CHAIN FAMILY MEMBER 2A (L64P MUTATION) IN COMPLEX WITH IBUPROFEN

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 (A, B, C)	ACYL-COENZYME A SYNTHETASE ACSM2A, MITOCHONDRIAL	polymer	569	63206.4	3	UniProt (Q08AH3) Pfam (PF00501) Pfam (PF13193)	HOMO SAPIENS (HUMAN)	ACYL-COENZYME A SYNTHETASE ACSM2A, ACYL-COA SYNTHETASE MEDIUM-CHAIN FAMILY MEMBER 2A, MIDDLE-CHAIN ACYL-COA SYNTHETASE 2A, BUTYRYL COENZYME A SYNTHETASE 2A, BUTYRATE-COA LIGASE 2A
2	D, F, H (A, B, C)	IBUPROFEN	non-polymer		206.3	3	Chemie (IBP)
3	E, G (B, C)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4	I, J, K (A, B, C)	water	water		18.0	215	Chemie (HOH)

Sequence modifications

A, B, C: 8 - 31 (PDB: 2WD9)
A, B, C: 32 - 576 (UniProt: Q08AH3)

PDB	External Database	Details
Pro 64	Leu 64	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	189619.3
Non-Polymers*	Number of molecules	5
	Total formula weight	667.5
All*	Total formula weight	190286.8

*Water molecules are not included.