6FM4

The crystal structure of S. aureus Gyrase complex with ID-130 and DNA

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (B, D)	DNA gyrase subunit B,DNA gyrase subunit B,DNA gyrase subunit A	polymer	692	78109.0	2	UniProt (P66937) UniProt (Q99XG5)	Staphylococcus aureus (strain N315)
2	C (E)	DNA (5'-5UA*D(P*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3')	polymer	19	5822.7	1		synthetic construct
3	D (F)	DNA (5'-5UA*D(P*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP*GP*C)-3')	polymer	18	5518.6	1		synthetic construct
4	E, F, I (B, E, F)	MANGANESE (II) ION	non-polymer		54.9	3	Chemie (MN)
5	G, J (E, F)	5'-O-CARBOXY-2'-DEOXYADENOSINE	non-polymer		295.3	2	Chemie (5UA)
6	H (E)	~{N}-[3-(4-isoquinolin-1-ylpiperazin-1-yl)propyl]benzamide	non-polymer		374.5	1	Chemie (DU5)
7	K, L, M, N (B, D, E, F)	water	water		18.0	62	Chemie (HOH)

Sequence modifications

B, D: 409 - 543 (UniProt: P66937)

PDB	External Database	Details
Met 409	Leu 409	conflict

B, D: 580 - 1001 (UniProt: P66937)

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

B, D: 1002 - 1491 (UniProt: Q99XG5)

PDB	External Database	Details
Phe 1123	Tyr 123	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	167559.3
Non-Polymers*	Number of molecules	6
	Total formula weight	1129.8
All*	Total formula weight	168689.1

*Water molecules are not included.