9GEF

Experimental localization of metal-binding sites reveals the role of metal ions in the delafloxacin-stabilized Streptococcus pneumoniae topoisomerase IV DNA cleavage complex

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 TOPOISOMERASE (ATP-HYDROLYZING),DNA TOPOISOMERASE 4	polymer	723	81934.8	2	Pfam (PF00521) UniProt (by SIFTS) (P72525)	Streptococcus pneumoniae
2	C (E)	DNA (5'-D(*TP*GP*TP*GP*GP*AP*T)-3')	polymer	7	2168.4	1		Escherichia coli
3	D (F)	DNA (5'-D(P*GP*GP*TP*TP*AP*TP*CP*CP*AP*CP*A)-3')	polymer	11	3333.2	1		Escherichia coli
4	E (G)	DNA (5'-D(*GP*TP*AP*AP*TP*AP*C)-3')	polymer	7	2121.4	1		Escherichia coli
5	F (H)	DNA (5'-D(P*AP*AP*CP*CP*GP*TP*AP*TP*TP*AP*C)-3')	polymer	11	3317.2	1		Escherichia coli
6	G, N, O, P (A, B)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	4	Chemie (MPD)
7	AA, H, I, Q (H, A, B)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
8	J, K, L, R, S... (A, B)	POTASSIUM ION	non-polymer		39.1	8	Chemie (K)
9	M, W (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
10	X (B)	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
11	Y, Z (F, H)	delafloxacin	non-polymer		440.8	2	Chemie (TE9)
12	BA, CA, DA, EA, FA... (A, B, E, F, G...)	water	water		18.0	108	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	174809.8
Non-Polymers*	Number of molecules	21
	Total formula weight	1894.2
All*	Total formula weight	176704.0

*Water molecules are not included.