5WM3

Crystal Structure of CahJ in Complex with Salicyl Adenylate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Salicylate-AMP ligase	polymer	564	60783.5	1	UniProt (A0A140DJY3) Pfam (PF00501) Pfam (PF13193) In PDB	Streptomyces gandocaensis
2	A	9-(5-O-{(S)-hydroxy[(2-hydroxybenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine	non-polymer		467.3	1	Chemie (B5V)
3	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
4	A	ACETATE ION	non-polymer		59.0	3	Chemie (ACT)
5	A	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
6		water	water		18.0	865	Chemie (HOH)

Sequence modifications

A: 21 - 564 (UniProt: A0A140DJY3)

PDB	External Database	Details
Met 1	-	expression tag
Gly 2	-	expression tag
Ser 3	-	expression tag
Ser 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
His 7	-	expression tag
His 8	-	expression tag
His 9	-	expression tag
His 10	-	expression tag
Ser 11	-	expression tag
Ser 12	-	expression tag
Gly 13	-	expression tag
Leu 14	-	expression tag
Val 15	-	expression tag
Pro 16	-	expression tag
Arg 17	-	expression tag
Gly 18	-	expression tag
Ser 19	-	expression tag
His 20	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	60783.5
Non-Polymers*	Number of molecules	7
	Total formula weight	853.0
All*	Total formula weight	61636.5

*Water molecules are not included.