4HZ5

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, C, D, E... (A, B, C, D, E...)	DNA topoisomerase IV, B subunit	polymer	216	23781.8	9	UniProt (H7C794) Pfam (PF02518)	Enterococcus faecalis
2	J, K, L, M, N... (A, B, C, D, E...)	6-ethyl-4-methoxy-2-(pyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde	non-polymer		314.4	8	Chemie (19Y)
3	R, S, T, U, V... (A, B, C, D, E...)	water	water		18.0	59	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H, J: 19 - 225 (UniProt: H7C794)

PDB	External Database	Details
Met 18	-	expression tag
Leu 226	-	expression tag
Glu 227	-	expression tag
His 228	-	expression tag
His 229	-	expression tag
His 230	-	expression tag
His 231	-	expression tag
His 232	-	expression tag
His 233	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	9
	Total formula weight	214036.3
Non-Polymers*	Number of molecules	8
	Total formula weight	2514.9
All*	Total formula weight	216551.2

*Water molecules are not included.