Brand  (β version)

PDB ID: 3U2D

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Ligands
Code Name Style Show Link
08B 4-bromo-5-methyl-N-[1-(3-nitropyridin-2-yl)piperidin-4-yl]-1h-pyrrole-2-carboxamide PoSSuM
MG Magnesium ion PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 3U2D   PDBj   RCSB PDB   PDBe
Header : ISOMERASE/ISOMERASE INHIBITOR
Title : S. aureus GyrB ATPase domain in complex with small molecule inhibitor
Release Data : 2012-01-11
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., Prince, D.B., 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 ( 1.8500 Å )
Citation :

Pyrrolamide DNA gyrase inhibitors: fragment-based nuclear magnetic resonance screening to identify antibacterial agents.

Eakin, A.E.,Green, O.,Hales, N.  et al.
(2012)  Antimicrob.Agents Chemother.  56 : 1240 - 1246

PubMed: 22183167
DOI: 10.1128/AAC.05485-11

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+).