8S7K

M. tuberculosis gyrase holocomplex with 150 bp DNA and gepotidacin

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, A)	DNA gyrase subunit A	polymer	837	92304.2	2	UniProt (P9WG47)	Mycobacterium tuberculosis	Type IIA topoisomerase subunit GyrA
2	C, D (B, D)	DNA gyrase subunit B	polymer	678	74424.0	2	UniProt (P9WG45)	Mycobacterium tuberculosis
3	E (E)	DNA (5'-D(*AP*GP*TP*AP*TP*TP*AP*CP*CP*CP*CP*TP*TP*CP*CP*GP*GP*A)-3')	polymer	150	46325.4	1		synthetic construct
4	F (F)	DNA (5'-D(*AP*GP*TP*AP*TP*TP*AP*CP*CP*CP*CP*TP*TP*CP*CP*GP*GP*A)-3')	polymer	150	46291.5	1		synthetic construct
5	G, H (B, D)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
6	I (F)	(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)

Sequence modifications

C, A: 2 - 838 (UniProt: P9WG47)

PDB	External Database	Details
Ile 501	Ala 501	conflict

B, D: 5 - 675 (UniProt: P9WG45)

PDB	External Database	Details
Gly -2	-	expression tag
Ala -1	-	expression tag
Met 0	-	expression tag
Val 1	-	expression tag
Ala 2	-	expression tag
Ala 3	-	expression tag
Gln 4	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	426073.1
Non-Polymers*	Number of molecules	3
	Total formula weight	497.1
All*	Total formula weight	426570.2

*Water molecules are not included.