7MVS

DNA gyrase complexed with uncleaved DNA and Compound 7 to 2.6A resolution

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 gyrase subunit B,DNA gyrase subunit A	polymer	693	78166.1	2	UniProt (P0A0K8) UniProt (Q99XG5) Pfam (PF01751) Pfam (PF00986) Pfam (PF00521) UniProt (by SIFTS) (P20831)	Staphylococcus aureus
2	C, D (C, D)	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
3	E, G, H (A, B)	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
4	F, J (A, B)	MANGANESE (II) ION	non-polymer		54.9	2	Chemie (MN)
5	I (B)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
6	K (D)	(1S)-2-[(2r,5S)-5-{[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino}-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxyquinolin-4-yl)ethan-1-ol	non-polymer		470.5	1	Chemie (Y1W)
7	L, M, N, O (A, B, C, D)	water	water		18.0	145	Chemie (HOH)

Sequence modifications

A, B: 3 - 136 (UniProt: P0A0K8)

PDB	External Database	Details
Gly 1	-	expression tag
Met 2	-	expression tag

A, B: 139 - 199 (UniProt: P0A0K8)

PDB	External Database	Details
Thr 137	-	linker
Gly 138	-	linker

A, B: 199 - 692 (UniProt: Q99XG5)

PDB	External Database	Details
Phe 324	Tyr 123	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	168604.0
Non-Polymers*	Number of molecules	7
	Total formula weight	782.8
All*	Total formula weight	169386.8

*Water molecules are not included.