3U2D

S. aureus GyrB ATPase domain in complex with 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 (A, B)	DNA gyrase subunit B	polymer	198	22545.2	2	UniProt (P0A0K8) Pfam (PF02518)	Staphylococcus aureus
2	C, F (A, B)	4-bromo-5-methyl-N-[1-(3-nitropyridin-2-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide	non-polymer		408.3	2	Chemie (08B)
3	D, E, G, H (A, B)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
4	I, J (A, B)	water	water		18.0	324	Chemie (HOH)

Sequence modifications

A, B: 14 - 104 (UniProt: P0A0K8)

PDB	External Database	Details
Met 13	-	initiating methionine

A, B: 128 - 233 (UniProt: P0A0K8)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	45090.4
Non-Polymers*	Number of molecules	6
	Total formula weight	913.7
All*	Total formula weight	46004.2

*Water molecules are not included.