4KFG

The DNA Gyrase B ATP binding domain of Escherichia coli in complex with a small molecule inhibitor.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	DNA gyrase subunit B	polymer	215	23850.8	2	UniProt (P0AES6) Pfam (PF02518) In PDB	Escherichia coli
2	A, B	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
3	A, B	6-fluoro-4-[(3aR,6aR)-hexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl]-N-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9H-pyrimido[4,5-b]indol-8-amine	non-polymer		434.5	2	Chemie (DOO)
4		water	water		18.0	348	Chemie (HOH)

Sequence modifications

A, B: 15 - 220 (UniProt: P0AES6)

PDB	External Database	Details
Met 14	-	expression tag
Leu 221	-	expression tag
Glu 222	-	expression tag
His 223	-	expression tag
His 224	-	expression tag
His 225	-	expression tag
His 226	-	expression tag
His 227	-	expression tag
His 228	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	47701.5
Non-Polymers*	Number of molecules	5
	Total formula weight	1157.1
All*	Total formula weight	48858.7

*Water molecules are not included.