7PT4

Actinobacterial 2-hydroxyacyl-CoA lyase (AcHACL) structure in complex with a covalently bound reaction intermediate as well as products formyl-CoA and acetone

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	2-hydroxyacyl-CoA lyase	polymer	612	65362.2	2	Pfam (PF02776) Pfam (PF00205) Pfam (PF02775) UniProt (by SIFTS) (P0DUV9) In PDB	Actinomycetospora chiangmaiensis DSM 45062
2	A	THIAMINE DIPHOSPHATE	non-polymer		425.3	1	Chemie (TPP)
3	B, A	SULFATE ION	non-polymer		96.1	19	Chemie (SO4)
4	A	ACETONE	non-polymer		58.1	1	Chemie (ACN)
5	A	S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]-9,13,15-TRIHYDROXY-10,10-DIMETHYL-13,15-DIOXIDO-4,8-DIOXO-12,14,16-TRIOXA-3,7-DIAZA-13,15-DIPHOSPHAHEPTADEC-1-YL} THIOFORMATE	non-polymer		795.5	1	Chemie (FYN)
6	B, A	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
7	B	3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-{(1R,11R,15S,17R)-19-[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]-1,11,15,17-TETRAHYDROXY-12,12-DIMETHYL-15,17-DIOXIDO-6,10-DIOXO-14,16,18-TRIOXA-2-THIA-5,9-DIAZA-15,17-DIPHOSPHANONADEC-1-YL}-5-(2-{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM	non-polymer		1220.9	1	Chemie (OXT)
8		water	water		18.0	1049	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	130724.3
Non-Polymers*	Number of molecules	27
	Total formula weight	4422.2
All*	Total formula weight	135146.5

*Water molecules are not included.