4Z53

Quinolone(Trovafloxacin)-DNA cleavage complex of topoisomerase IV from S. pneumoniae

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 4 subunit B,DNA topoisomerase 4 subunit A	polymer	742	84211.4	2	UniProt (Q59961) UniProt (P72525) Pfam (PF01751) Pfam (PF00986) Pfam (PF00521)	Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)	Topoisomerase IV subunit B,Topoisomerase IV subunit A
2	C (E)	E-site DNA	polymer	7	2121.4	1		Escherichia coli
3	D (F)	E-site DNA	polymer	11	3348.2	1		Escherichia coli
4	E (G)	E-site DNA	polymer	7	2113.4	1		Escherichia coli
5	F (H)	E-site DNA	polymer	11	3358.2	1		Escherichia coli
6	G, H, I, J (A, B)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
7	K, L (F, H)	Trovafloxacin	non-polymer		416.4	2	Chemie (TR6)
8	M, N (A, B)	water	water		18.0	4	Chemie (HOH)

Sequence modifications

A, B: 404 - 995 (UniProt: Q59961)

PDB	External Database	Details
Met 403	-	expression tag
Ile 460	Val 460	engineered mutation
Ala 996	-	linker
Thr 997	-	linker
Val 998	-	linker
Phe 999	-	linker
His 1000	-	linker
Met 1001	-	linker
Ser 1002	-	linker

A, B: 1003 - 1484 (UniProt: P72525)

PDB	External Database	Details
Thr 1257	Ile 257	engineered mutation
Thr 1485	-	expression tag
Ala 1486	-	expression tag
Lys 1487	-	expression tag
Ala 1488	-	expression tag
Leu 1489	-	expression tag
Glu 1490	-	expression tag
His 1491	-	expression tag
His 1492	-	expression tag
His 1493	-	expression tag
His 1494	-	expression tag
His 1495	-	expression tag
His 1496	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	179364.1
Non-Polymers*	Number of molecules	6
	Total formula weight	929.9
All*	Total formula weight	180294.0

*Water molecules are not included.