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Fluorine in PDB 4k4o: The Dna Gyrase B Atp Binding Domain of Enterococcus Faecalis in Complex with A Small Molecule Inhibitor

Enzymatic activity of The Dna Gyrase B Atp Binding Domain of Enterococcus Faecalis in Complex with A Small Molecule Inhibitor

All present enzymatic activity of The Dna Gyrase B Atp Binding Domain of Enterococcus Faecalis in Complex with A Small Molecule Inhibitor:
5.99.1.3;

Protein crystallography data

The structure of The Dna Gyrase B Atp Binding Domain of Enterococcus Faecalis in Complex with A Small Molecule Inhibitor, PDB code: 4k4o was solved by D.C.Bensen, S.Akers-Rodriguez, T.Lam, L.W.Tari, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.58 / 1.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 54.450, 58.350, 65.550, 90.00, 90.00, 90.00
R / Rfree (%) 17.8 / 19.6

Fluorine Binding Sites:

The binding sites of Fluorine atom in the The Dna Gyrase B Atp Binding Domain of Enterococcus Faecalis in Complex with A Small Molecule Inhibitor (pdb code 4k4o). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the The Dna Gyrase B Atp Binding Domain of Enterococcus Faecalis in Complex with A Small Molecule Inhibitor, PDB code: 4k4o:

Fluorine binding site 1 out of 1 in 4k4o

Go back to Fluorine Binding Sites List in 4k4o
Fluorine binding site 1 out of 1 in the The Dna Gyrase B Atp Binding Domain of Enterococcus Faecalis in Complex with A Small Molecule Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Dna Gyrase B Atp Binding Domain of Enterococcus Faecalis in Complex with A Small Molecule Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:9.1
occ:1.00
 F30 A:DOO301 0.0 9.1 1.0
C6 A:DOO301 1.3 8.6 1.0
C1 A:DOO301 2.3 8.5 1.0
C5 A:DOO301 2.4 8.7 1.0
CE1 A:PHE97 3.6 8.3 1.0
C4 A:DOO301 3.6 8.7 1.0
CZ A:PHE97 3.6 8.3 1.0
CB A:SER122 3.6 10.9 1.0
C2 A:DOO301 3.6 8.4 1.0
CG A:ASN48 3.9 10.2 1.0
CB A:ASN48 3.9 9.5 1.0
ND2 A:ASN48 3.9 10.9 1.0
CD1 A:ILE45 4.0 7.8 1.0
CG2 A:VAL169 4.1 7.0 1.0
C3 A:DOO301 4.1 8.6 1.0
OD1 A:ASN48 4.3 10.9 1.0
CG1 A:VAL96 4.5 10.9 1.0
OG A:SER122 4.5 11.9 1.0
CG2 A:ILE45 4.6 7.6 1.0
CA A:SER122 4.7 10.2 1.0
CD1 A:PHE97 4.7 8.4 1.0
CE2 A:PHE97 4.8 8.3 1.0
N31 A:DOO301 4.8 8.5 1.0
CD1 A:ILE80 4.9 9.6 1.0
O A:ILE45 4.9 8.5 1.0
C23 A:DOO301 4.9 10.2 1.0
CA A:ILE45 5.0 8.2 1.0
C7 A:DOO301 5.0 8.9 1.0

Reference:

L.W.Tari, D.C.Bensen, J.Finn. A New Class of Type Iia Topoisomerase Inhibitors with Broad-Spectrum Antibacterial Activity To Be Published.
Page generated: Thu Aug 1 03:05:39 2024

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