5MMN

E. coli DNA Gyrase B 24 kDa ATPase domain in complex with 1-ethyl-3-[8-methyl-5-(2-methyl-pyridin-4-yl)-isoquinolin-3-yl]-urea

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	DNA gyrase subunit B	polymer	234	25876.0	1	UniProt (P0AES7) Pfam (PF02518) In PDB	Escherichia coli O157:H7
2	A	1-ethyl-3-[8-methyl-5-(2-methylpyridin-4-yl)isoquinolin-3-yl]urea	non-polymer		320.4	1	Chemie (O54)
3		water	water		18.0	111	Chemie (HOH)

Sequence modifications

A: 1 - 220 (UniProt: P0AES7)

PDB	External Database	Details
Met -13	-	initiating methionine
Arg -12	-	expression tag
Gly -11	-	expression tag
Ser -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
Gly -3	-	expression tag
Ile -2	-	expression tag
Asp -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	25876.0
Non-Polymers*	Number of molecules	1
	Total formula weight	320.4
All*	Total formula weight	26196.4

*Water molecules are not included.