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Chlorine in PDB 4gfn: Pyrrolopyrimidine Inhibitors of Dna Gyrase B and Topoisomerase IV, Part I: Structure Guided Discovery and Optimization of Dual Targeting Agents with Potent, Broad-Spectrum Enzymatic

Enzymatic activity of Pyrrolopyrimidine Inhibitors of Dna Gyrase B and Topoisomerase IV, Part I: Structure Guided Discovery and Optimization of Dual Targeting Agents with Potent, Broad-Spectrum Enzymatic

All present enzymatic activity of Pyrrolopyrimidine Inhibitors of Dna Gyrase B and Topoisomerase IV, Part I: Structure Guided Discovery and Optimization of Dual Targeting Agents with Potent, Broad-Spectrum Enzymatic:
5.99.1.3;

Protein crystallography data

The structure of Pyrrolopyrimidine Inhibitors of Dna Gyrase B and Topoisomerase IV, Part I: Structure Guided Discovery and Optimization of Dual Targeting Agents with Potent, Broad-Spectrum Enzymatic, PDB code: 4gfn was solved by D.C.Bensen, M.Trzoss, L.W.Tari, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.17 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 54.780, 58.210, 66.190, 90.00, 90.00, 90.00
R / Rfree (%) 16.2 / 21.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Pyrrolopyrimidine Inhibitors of Dna Gyrase B and Topoisomerase IV, Part I: Structure Guided Discovery and Optimization of Dual Targeting Agents with Potent, Broad-Spectrum Enzymatic (pdb code 4gfn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Pyrrolopyrimidine Inhibitors of Dna Gyrase B and Topoisomerase IV, Part I: Structure Guided Discovery and Optimization of Dual Targeting Agents with Potent, Broad-Spectrum Enzymatic, PDB code: 4gfn:

Chlorine binding site 1 out of 1 in 4gfn

Go back to Chlorine Binding Sites List in 4gfn
Chlorine binding site 1 out of 1 in the Pyrrolopyrimidine Inhibitors of Dna Gyrase B and Topoisomerase IV, Part I: Structure Guided Discovery and Optimization of Dual Targeting Agents with Potent, Broad-Spectrum Enzymatic


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pyrrolopyrimidine Inhibitors of Dna Gyrase B and Topoisomerase IV, Part I: Structure Guided Discovery and Optimization of Dual Targeting Agents with Potent, Broad-Spectrum Enzymatic within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:23.4
occ:1.00
 CL1 A:SUY301 0.0 23.4 1.0
C9 A:SUY301 1.8 20.6 1.0
C8 A:SUY301 2.9 20.5 1.0
C5 A:SUY301 3.0 21.2 1.0
C14 A:SUY301 3.1 25.1 1.0
OG A:SER122 3.3 22.4 1.0
C10 A:SUY301 3.4 19.7 1.0
CB A:ASN48 3.4 20.2 1.0
ND2 A:ASN48 3.6 21.5 1.0
CG A:ASN48 3.7 21.7 1.0
C4 A:SUY301 3.8 22.4 1.0
N13 A:SUY301 3.8 23.6 1.0
CD1 A:ILE80 4.0 18.9 1.0
N7 A:SUY301 4.0 20.1 1.0
C6 A:SUY301 4.1 20.9 1.0
C15 A:SUY301 4.5 27.4 1.0
CZ A:PHE97 4.5 22.0 1.0
CB A:SER122 4.5 21.0 1.0
OD1 A:ASN48 4.6 24.5 1.0
C11 A:SUY301 4.6 18.5 1.0
CG1 A:ILE80 4.7 19.9 1.0
O A:ILE45 4.7 17.3 1.0
CG2 A:VAL169 4.8 14.6 1.0
CG1 A:VAL96 4.8 21.7 1.0
CA A:ASN48 4.9 18.9 1.0
CE1 A:PHE97 4.9 22.9 1.0
CG2 A:ILE45 5.0 17.2 1.0

Reference:

L.W.Tari, M.Trzoss, D.C.Bensen, X.Li, Z.Chen, T.Lam, J.Zhang, C.J.Creighton, M.L.Cunningham, B.Kwan, M.Stidham, K.J.Shaw, F.C.Lightstone, S.E.Wong, T.B.Nguyen, J.Nix, J.Finn. Pyrrolopyrimidine Inhibitors of Dna Gyrase B (Gyrb) and Topoisomerase IV (Pare). Part I: Structure Guided Discovery and Optimization of Dual Targeting Agents with Potent, Broad-Spectrum Enzymatic Activity. Bioorg.Med.Chem.Lett. V. 23 1529 2013.
ISSN: ISSN 0960-894X
PubMed: 23352267
DOI: 10.1016/J.BMCL.2012.11.032
Page generated: Sun Jul 21 14:35:42 2024

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