6WAA

K. pneumoniae Topoisomerase IV (ParE-ParC) in complex with DNA and compound 34 (7-[(1S,5R)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1H)-one)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	B, D, F, H	DNA topoisomerase 4 subunit B,DNA topoisomerase (ATP-hydrolyzing) chimera	polymer	743	84279.5	4	UniProt (A0A377Y395) UniProt (A0A377XIN8) Pfam (PF00521) UniProt (by SIFTS) (B5XU60) In PDB	Klebsiella pneumoniae 342	Topoisomerase IV subunit B
2	I, L, M, P	DNA (5'-D(*TP*TP*AP*CP*GP*TP*TP*GP*TP*AP*T)-3')	polymer	11	3354.2	4		Klebsiella pneumoniae 342
3	J, K, N, O	DNA (5'-D(*GP*AP*TP*CP*AP*TP*AP*CP*AP*AP*CP*GP*TP*AP*A)-3')	polymer	15	4586.0	4		Klebsiella pneumoniae 342
4	B, D, F, H	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	6	Chemie (MPD)
5	I, L, M, O, B...	MAGNESIUM ION	non-polymer		24.3	11	Chemie (MG)
6	H, B	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
7	J, N	7-[(1S,5R)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1H)-one	non-polymer		360.4	4	Chemie (TNJ)
8		water	water		18.0	10	Chemie (HOH)

Sequence modifications

B, D, F, H: 390 - 631 (UniProt: A0A377Y395)

PDB	External Database	Details
Met 389	-	initiating methionine
Glu 999	-	linker
Phe 1000	-	linker

B, D, F, H: 1001 - 1490 (UniProt: A0A377XIN8)

PDB	External Database	Details
Thr 1255	Ser 255	variant
Leu 1491	-	expression tag
Glu 1492	-	expression tag
His 1493	-	expression tag
His 1494	-	expression tag
His 1495	-	expression tag
His 1496	-	expression tag
His 1497	-	expression tag
His 1498	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	12
	Total formula weight	368878.8
Non-Polymers*	Number of molecules	23
	Total formula weight	2488.9
All*	Total formula weight	371367.7

*Water molecules are not included.