6M1J

The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12x

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	214	23939.8	2	UniProt (Q9I7C2) Pfam (PF02518) In PDB	Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1)
2	A, B	DIMETHYL SULFOXIDE	non-polymer		78.1	2	Chemie (DMS)
3	A	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
4	A	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
5	A, B	1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid	non-polymer		511.4	2	Chemie (EZ6)
6		water	water		18.0	345	Chemie (HOH)

Sequence modifications

A, B: 17 - 221 (UniProt: Q9I7C2)

PDB	External Database	Details
Met 16	-	expression tag
Leu 222	-	expression tag
Glu 223	-	expression tag
His 224	-	expression tag
His 225	-	expression tag
His 226	-	expression tag
His 227	-	expression tag
His 228	-	expression tag
His 229	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	47879.6
Non-Polymers*	Number of molecules	7
	Total formula weight	1394.2
All*	Total formula weight	49273.8

*Water molecules are not included.