6QTP

2.37A structure of gepotidacin with S.aureus DNA gyrase and uncleaved DNA

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	B, D	DNA gyrase subunit B,DNA gyrase subunit B	polymer	202	22605.7	2	UniProt (P66937) Pfam (PF01751) Pfam (PF00986) In PDB	Staphylococcus aureus
2	A, C	DNA gyrase subunit A	polymer	490	55537.3	2	UniProt (Q99XG5) Pfam (PF00521) In PDB	Staphylococcus aureus
3	E, F	DNA (5'-D(*GP*AP*GP*CP*GP*TP*AP*CP*AP*GP*CP*TP*GP*TP*AP*CP*GP*CP*TP*T)-3')	polymer	20	6150.0	2		synthetic construct
4	B, D	MANGANESE (II) ION	non-polymer		54.9	2	Chemie (MN)
5	B	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
6	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
7	C	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
8	E	(3~{R})-3-[[4-(3,4-dihydro-2~{H}-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4,7-triazatricyclo[6.3.1.0^{4,12}]dodeca-6,8(12),9-triene-5,11-dione	non-polymer		448.5	1	Chemie (JHN)
9		water	water		18.0	602	Chemie (HOH)

Sequence modifications

B, D: 410 - 543 (UniProt: P66937)

PDB	External Database	Details
Met 409	-	initiating methionine

B, D: 580 - 644 (UniProt: P66937)

PDB	External Database	Details
Thr 578	-	linker
Gly 579	-	linker

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	168586.0
Non-Polymers*	Number of molecules	6
	Total formula weight	769.5
All*	Total formula weight	169355.5

*Water molecules are not included.