5MMO

E. coli DNA Gyrase B 24 kDa ATPase domain in complex with [3-(3-ethyl-ureido)-5-(pyridin-4-yl)-isoquinolin-8-yl-methyl]-carbamic acid prop-2-ynyl ester

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	DNA gyrase subunit B	polymer	234	25876.0	1	UniProt (P0AES7) Pfam (PF02518)	Escherichia coli O157:H7
2	B (A)	prop-2-ynyl ~{N}-[[3-(ethylcarbamoylamino)-5-pyridin-4-yl-isoquinolin-8-yl]methyl]carbamate	non-polymer		403.4	1	Chemie (9JG)
3	C (A)	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
4	D (A)	water	water		18.0	125	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	2
	Total formula weight	498.4
All*	Total formula weight	26374.4

*Water molecules are not included.