4HZ0

Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity.

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	polymer	213	23864.8	2	UniProt (P20083) Pfam (PF02518)	Escherichia coli	Topoisomerase IV subunit B
2	C, E (A, B)	7-(1H-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-amine	non-polymer		295.3	2	Chemie (1AV)
3	D, F (A, B)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4	G, H (A, B)	water	water		18.0	209	Chemie (HOH)

Sequence modifications

A, B: 12 - 216 (UniProt: P20083)

PDB	External Database	Details
Leu 217	-	expression tag
Glu 218	-	expression tag
His 219	-	expression tag
His 220	-	expression tag
His 221	-	expression tag
His 222	-	expression tag
His 223	-	expression tag
His 224	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	47729.7
Non-Polymers*	Number of molecules	4
	Total formula weight	639.3
All*	Total formula weight	48368.9

*Water molecules are not included.