Brand  (β version)

PDB ID: 3TTZ

Hetero Atom Contents

  The number of atoms exceeds 100,000.
  So, it can not be displayed here.

Select unit:

Select hetatm:   

close
information
centroid:
interaction residue:

Select chain:   Sequence  

Data format:   

Color scheme of protein:

Ligands
Code Name Style Show Link
07N 2-[(3s,4r)-4-{[(3,4-dichloro-5-methyl-1h-pyrrol-2-yl)carbonyl]amino}-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid PoSSuM
MG Magnesium ion PoSSuM
Non-standard Residues
Code Name Show
Glycosylation
Code Name Emphasize
Modification
Code Name Show

Structure summary

Code : 3TTZ   PDBj   RCSB PDB   PDBe
Header : ISOMERASE/ISOMERASE INHIBITOR
Title : Crystal structure of a topoisomerase ATPase inhibitor
Release Data : 2011-11-16
Compound :
mol_id molecule chains
1 DNA gyrase subunit B A,B
ec: 5.99.1.3
fragment: ATPase domain with loop deletion, UNP residues 14-104 and 128-233
Source :
mol_id organism_scientific expression_system
1 Staphylococcus aureus  (taxid:1280) Escherichia coli  (taxid:469008)
gene: gyrB
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pT73.3
Authors : Boriack-Sjodin, P.A., Read, J., Eakin, A.E., Sherer, B.A.
Keywords : protein-inhibitor complex, ATP-binding, structure-based drug design, antimicrobial, ISOMERASE-ISOMERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.6300 Å )
Citation :

Pyrrolamide DNA gyrase inhibitors: Optimization of antibacterial activity and efficacy.

Sherer, B.A.,Hull, K.,Green, O.  et al.
(2011)  Bioorg.Med.Chem.Lett.  21 : 7416 - 7420

PubMed: 22041057
DOI: 10.1016/j.bmcl.2011.10.010

Reaction

Chain : A, B
UniProt : P0A0K8 (GYRB_STAAU)
Reaction: EC: Evidence:
Physiological Direction:
ATP-dependent breakage, passage and rejoining of double- stranded DNA. 5.6.2.2 HAMAP-Rule:MF_01898
-
Cofactor: Evidence: Note:
Ca(2+) ECO:0000255 | HAMAP-Rule:MF_01898
ECO:0000255 | HAMAP-Rule:MF_01898
ECO:0000255 | HAMAP-Rule:MF_01898
Binds two Mg(2+) per subunit. The magnesium ions form salt bridges with both the protein and the DNA. Can also accept other divalent metal cations, such as Mn(2+) or Ca(2+).