7PT2

Actinobacterial 2-hydroxyacyl-CoA lyase (AcHACL) mutant E493Q structure in complex with substrate 2-HIB-CoA and inactive cofactor 3-deaza-ThDP

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	2-hydroxyacyl-CoA lyase	polymer	612	65361.2	2	Pfam (PF02776) Pfam (PF00205) Pfam (PF02775) UniProt (by SIFTS) (P0DUV9)	Actinomycetospora chiangmaiensis DSM 45062
2	C, H (A, B)	2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-METHYLTHIOPHEN-2-YL}ETHYL TRIHYDROGEN DIPHOSPHATE	non-polymer		423.3	2	Chemie (TPW)
3	D, I (A, B)	S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 2-hydroxy-2-methylpropanethioate	non-polymer		853.6	2	Chemie (3KK)
4	E, F, G, J (A, B)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
5	K, L (A, B)	water	water		18.0	1003	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	130722.3
Non-Polymers*	Number of molecules	8
	Total formula weight	2651.1
All*	Total formula weight	133373.4

*Water molecules are not included.