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	Phenylacetate-coenzyme A ligase	polymer	436	50204.0	4	UniProt (Q8AAN6) Pfam (PF00501) Pfam (PF14535) In PDB	Bacteroides thetaiotaomicron VPI-5482
2	A, C, D, B	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
3	A, C, D, B	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	4	Chemie (ADP)
4	A, C, D	POTASSIUM ION	non-polymer		39.1	6	Chemie (K)
5	C, A, D, B	UNKNOWN LIGAND	non-polymer			4	Chemie (UNL)
6	C, A, D, B	SULFATE ION	non-polymer		96.1	7	Chemie (SO4)
7	A	TETRAETHYLENE GLYCOL	non-polymer		194.2	1	Chemie (PG4)
8	B, A	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
9	C, A	TRIETHYLENE GLYCOL	non-polymer		150.2	2	Chemie (PGE)
10	B, C, A, D	1,2-ETHANEDIOL	non-polymer		62.1	14	Chemie (EDO)
11		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.