9KGT

Crystal structure of topoisomerase IV from Klebsiella pneumoniae in complex with DNA and BWC0977, a dual-targeting broad-spectrum novel bacterial topoisomerase inhibitor.

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	DNA topoisomerase 4 subunit B,DNA topoisomerase 4 subunit A	polymer	734	83143.1	4	UniProt (A6TE19) UniProt (A6TE12)	Klebsiella pneumoniae subsp. pneumoniae MGH 78578	Topoisomerase IV subunit B,Topoisomerase IV subunit A
2	E, F, G, H (E, F, G, H)	DNA (5'-D(P*TP*TP*AP*CP*GP*TP*TP*GP*TP*AP*TP*GP*AP*TP*CP*AP*TP*AP*CP*AP*AP*CP*GP*TP*AP*A)-3')	polymer	26	7985.2	4		synthetic construct
3	I, J (F, H)	6-[(5S)-5-[[[2-(7-Fluoro-1,2-dihydro-1-methyl-2-oxo-8-quinolinyl)ethyl]amino]methyl]-2-oxo-3-oxazolidinyl]-2H-pyrazino[2,3-b]-1,4-oxazin-3(4H)-one	non-polymer		468.4	2	Chemie (A1L5V)
4	K, L, M, N, O (A, B, C, D, H)	water	water		18.0	53	Chemie (HOH)

Sequence modifications

A, B, C, D: 400 - 631 (UniProt: A6TE19)

PDB	External Database	Details
Met 396	-	initiating methionine
Gly 397	-	expression tag
Ser 398	-	expression tag
Ser 399	-	expression tag
Glu 999	-	linker
Ser 1000	-	linker

A, B, C, D: 1001 - 1488 (UniProt: A6TE12)

PDB	External Database	Details
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	8
	Total formula weight	364513.1
Non-Polymers*	Number of molecules	2
	Total formula weight	936.9
All*	Total formula weight	365450.0

*Water molecules are not included.