8C41

High resolution structure of the Streptococcus pneumoniae topoisomerase IV-DNA complex with the novel fluoroquinolone Delafloxacin

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Fused ParE30ParC55 CLEAVAGE COMPLEX of the TOPOISOMERASE IV	polymer	742	84211.4	2	Pfam (PF00521) UniProt (by SIFTS) (P72525) In PDB	Streptococcus pneumoniae
2	E	DNA (5'-D(*CP*AP*TP*GP*AP*AP*T)-3')	polymer	7	2121.4	1		DNA molecule
3	F	DNA (5'-D(P*AP*GP*TP*CP*AP*TP*TP*CP*AP*TP*G)-3')	polymer	11	3348.2	1		DNA molecule
4	G	DNA (5'-D(*CP*GP*TP*GP*CP*AP*T)-3')	polymer	7	2113.4	1		DNA molecule
5	H	DNA (5'-D(P*GP*AP*CP*TP*AP*TP*GP*CP*AP*CP*G)-3')	polymer	11	3358.2	1		DNA molecule
6	A, B	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	3	Chemie (MPD)
7	A, B	MAGNESIUM ION	non-polymer		24.3	6	Chemie (MG)
8	A, B	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
9	F, H	delafloxacin	non-polymer		440.8	2	Chemie (TE9)
10		water	water		18.0	418	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	179364.1
Non-Polymers*	Number of molecules	13
	Total formula weight	1452.8
All*	Total formula weight	180816.9

*Water molecules are not included.