5WM6

Crystal Structure of CahJ in Complex with Benzoyl Adenylate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Salicylate-AMP ligase	polymer	564	60783.5	1	UniProt (A0A140DJY3) Pfam (PF00501) Pfam (PF13193)	Streptomyces gandocaensis
2	B (A)	5'-O-[(R)-(benzoyloxy)(hydroxy)phosphoryl]adenosine	non-polymer		451.3	1	Chemie (OOB)
3	C (A)	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
4	D (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
5	E (A)	water	water		18.0	400	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	3
	Total formula weight	534.7
All*	Total formula weight	61318.2

*Water molecules are not included.