Brand  (β version)

PDB ID: 4KSG

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Ligands
Code Name Style Show Link
920 4-[(1s,5r,6r)-6-amino-1-methyl-3-azabicyclo[3.2.0]hept-3-yl]-6-fluoro-N-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9h-pyrimido[4,5-B]indol-8-amine PoSSuM
TBU Tertiary-butyl alcohol PoSSuM
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Structure summary

Code : 4KSG   PDBj   RCSB PDB   PDBe
Header : Isomerase/isomerase inhibitor
Title : Dna gyrase ATP binding domain of enterococcus faecalis in complex with a small molecule inhibitor (4-[(1S,5R,6R)-6-AMINO-1-METHYL-3-AZABICYCLO[3.2.0]HEPT-3-YL]-6-FLUORO-N-METHYL-2-[(2-METHYLPYRIMIDIN-5-YL)OXY]-9H-PYRIMIDO[4,5-B]INDOL-8-AMINE)
Release Data : 2014-01-15
Compound :
mol_id molecule chains
1 DNA gyrase subunit B A
ec: 5.99.1.3
fragment: unp residues 18-224
Source :
mol_id organism_scientific expression_system
1 Enterococcus faecalis  (taxid:226185) Escherichia coli  (taxid:469008)
strain: ATCC 700802 / V583
gene: EF_0005, gyrB
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pET28a
Authors : Bensen, D.C., Akers-Rodriguez, S., Tari, L.W.
Keywords : ATP-binding, Nucleotide-binding, Topoisomerase, ATP-binding domain, DNA gyrase negatively supercoils closed circular double-stranded DNA, Isomerase-Isomerase inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 1.75 Å )
Citation :

A new class of type iia topoisomerase inhibitors with broad-spectrum antibacterial activity

Tari, L.W.,Bensen, D.C.,Finn, J.
To be Published 

Reaction

Chain : A
UniProt : Q839Z1 (GYRB_ENTFA)
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+).