5WM4

Crystal Structure of CahJ in Complex with 6-Methylsalicyl 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-hydroxy-6-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine	non-polymer		481.4	1	Chemie (B5M)
3	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
4	A	ACETATE ION	non-polymer		59.0	6	Chemie (ACT)
5	A	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
6		water	water		18.0	869	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	10
	Total formula weight	1044.1
All*	Total formula weight	61827.6

*Water molecules are not included.