Brand  (β version)

PDB ID: 6QX1

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Ligands
Code Name Style Show Link
CL Chloride ion PoSSuM
GLY Glycine PoSSuM
GOL Glycerol PoSSuM
JK8 (2~{R})-2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-phenyl-ethanamine PoSSuM
MN Manganese (II) ion PoSSuM
Non-standard Residues
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Structure summary

Code : 6QX1   PDBj   RCSB PDB   PDBe
Header : ISOMERASE
Title : 2.7A structure of benzoisoxazole 3 with S.aureus DNA gyrase and DNA.
Release Data : 2019-04-17
Compound :
mol_id molecule chains
1 DNA gyrase subunit B B,D
ec: 5.99.1.3
mol_id molecule chains
2 DNA gyrase subunit A A,C
ec: 5.99.1.3
mol_id molecule chains
3 DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3') E,F
Source :
mol_id organism_scientific expression_system
1 Staphylococcus aureus  (taxid:1280) Escherichia coli  (taxid:562)
gene: gyrB, SA0005
mol_id organism_scientific expression_system
2 Staphylococcus aureus  (taxid:1280) Escherichia coli  (taxid:562)
gene: gyrA, SA0006
mol_id organism_scientific expression_system
3 Synthetic construct  (taxid:32630) Synthetic construct  (taxid:32630)
Authors : Bax, B.D.
Keywords : Inhibitor, DNA complex, isomerase
Exp. method : X-RAY DIFFRACTION ( 2.65 Å )
Citation :

Structure-guided design of antibacterials that allosterically inhibit DNA gyrase.

Thalji, R.K.,Raha, K.,Andreotti, D.  et al.
(2019)  Bioorg.Med.Chem.Lett.  29 : 1407 - 1412

PubMed: 30962087
DOI: 10.1016/j.bmcl.2019.03.029

Reaction

Chain : B, D
UniProt : P66937 (GYRB_STAAN)
Reaction: EC: Evidence:
Physiological Direction:
ATP-dependent breakage, passage and rejoining of double- stranded DNA. 5.6.2.2 HAMAP- Rule:MF_01898
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Chain : A, C
UniProt : Q99XG5 (GYRA_STAAN)
Reaction: EC: Evidence:
Physiological Direction:
ATP-dependent breakage, passage and rejoining of double- stranded DNA. 5.6.2.2 HAMAP- Rule:MF_01897
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