8VZF

Crystal Structure of 2-Hydroxyacyl-CoA Lyase/Synthase ApbHACS from Alphaproteobacteria bacterium in the Complex with THDP, Coenzyme A, and ADP

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, D (A, B, C, D)	2-Hydroxyacyl-CoA Lyase/Synthase	polymer	559	59788.0	4	UniProt (A0A3C0TX30) UniProt (by SIFTS) (A0ACD6B9U9)	Alphaproteobacteria bacterium
2	E, K, R, Y (A, B, C, D)	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	4	Chemie (FYN)
3	F, L, S, Z (A, B, C, D)	THIAMINE DIPHOSPHATE	non-polymer		425.3	4	Chemie (TPP)
4	AA, G, M, T (D, A, B, C)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
5	BA, H, N, U (D, A, B, C)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	4	Chemie (ADP)
6	CA, DA, EA, I, O... (D, A, B)	1,2-ETHANEDIOL	non-polymer		62.1	6	Chemie (EDO)
7	J, X (A, C)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
8	Q, W (B, C)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
9	V (C)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
10	FA, GA, HA, IA (A, B, C, D)	water	water		18.0	336	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 554 (UniProt: A0A3C0TX30)

PDB	External Database	Details
Phe -4	-	expression tag
Gln -3	-	expression tag
Ser -2	-	expression tag
Asn -1	-	expression tag
Ala 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	239152.1
Non-Polymers*	Number of molecules	27
	Total formula weight	7417.0
All*	Total formula weight	246569.1

*Water molecules are not included.