4PLB

Crystal Structure of S.A. gyrase-AM8191 complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	E, F	DNA (5'-D(P*AP*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3')	polymer	20	6136.0	2		synthetic construct
2	B, D	Chimera protein of DNA gyrase subunits B and A	polymer	692	78074.9	2	UniProt (P0A0K8) UniProt (P20831) Pfam (PF01751) Pfam (PF00986) Pfam (PF00521) In PDB	Staphylococcus aureus
3	F	6-[({(1r,4S)-1-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]oct-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one	non-polymer		509.5	1	Chemie (31N)
4	B, D	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
5	B, D	MANGANESE (II) ION	non-polymer		54.9	2	Chemie (MN)
6		water	water		18.0	73	Chemie (HOH)

Sequence modifications

B, D: 410 - 543 (UniProt: P0A0K8)

PDB	External Database	Details
Pro 409	-	expression tag

B, D: 580 - 1001 (UniProt: P0A0K8)

PDB	External Database	Details
Thr 544	-	linker
Gly 545	-	linker

B, D: 1002 - 1491 (UniProt: P20831)

PDB	External Database	Details
Phe 1123	Tyr 123	engineered mutation
Thr 1457	Ala 457	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	168421.8
Non-Polymers*	Number of molecules	6
	Total formula weight	907.6
All*	Total formula weight	169329.3

*Water molecules are not included.