4RVO

Crystal structure of a Putative Acyl-CoA ligase (BT_0428) from Bacteroides thetaiotaomicron VPI-5482 at 2.41 A resolution

Replaces:  4R1WReplaces:  3S89

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)	Phenylacetate-coenzyme A ligase	polymer	436	50204.0	4	UniProt (Q8AAN6) Pfam (PF00501) Pfam (PF14535)	Bacteroides thetaiotaomicron VPI-5482
2	E, EA, PA, V (A, C, D, B)	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
3	F, FA, OA, W (A, C, D, B)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	4	Chemie (ADP)
4	G, GA, H, HA, I... (A, C, D)	POTASSIUM ION	non-polymer		39.1	6	Chemie (K)
5	IA, J, RA, X (C, A, D, B)	UNKNOWN LIGAND	non-polymer			4	Chemie (UNL)
6	JA, K, L, M, SA... (C, A, D, B)	SULFATE ION	non-polymer		96.1	7	Chemie (SO4)
7	N (A)	TETRAETHYLENE GLYCOL	non-polymer		194.2	1	Chemie (PG4)
8	AA, O (B, A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
9	KA, P (C, A)	TRIETHYLENE GLYCOL	non-polymer		150.2	2	Chemie (PGE)
10	BA, CA, DA, LA, MA... (B, C, A, D)	1,2-ETHANEDIOL	non-polymer		62.1	14	Chemie (EDO)
11	WA, XA, YA, ZA (A, B, C, D)	water	water		18.0	543	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 435 (UniProt: Q8AAN6)

PDB	External Database	Details
Gly 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	200816.0
Non-Polymers*	Number of molecules	44
	Total formula weight	4453.2
All*	Total formula weight	205269.2

*Water molecules are not included.