3U2K

S. aureus GyrB ATPase domain 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 (A, B)	DNA gyrase subunit B	polymer	198	22545.2	2	UniProt (P0A0K8) Pfam (PF02518)	Staphylococcus aureus
2	C, G (A, B)	2-chloro-6-(4-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)pyridine-4-carboxamide	non-polymer		430.7	2	Chemie (087)
3	D, E, F, H, I... (A, B)	MAGNESIUM ION	non-polymer		24.3	6	Chemie (MG)
4	K, L (A, B)	water	water		18.0	440	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	8
	Total formula weight	1007.3
All*	Total formula weight	46097.7

*Water molecules are not included.