Atomistry » Fluorine » PDB 4kbk-4l3l » 4kqv
Atomistry »
  Fluorine »
    PDB 4kbk-4l3l »
      4kqv »

Fluorine in PDB 4kqv: Topoisomerase IV Atp Binding Domain of Francisella Tularensis in Complex with A Small Molecule Inhibitor

Enzymatic activity of Topoisomerase IV Atp Binding Domain of Francisella Tularensis in Complex with A Small Molecule Inhibitor

All present enzymatic activity of Topoisomerase IV Atp Binding Domain of Francisella Tularensis in Complex with A Small Molecule Inhibitor:
5.99.1.3;

Protein crystallography data

The structure of Topoisomerase IV Atp Binding Domain of Francisella Tularensis in Complex with A Small Molecule Inhibitor, PDB code: 4kqv 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) 66.06 / 2.38
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 44.200, 163.160, 72.280, 90.00, 91.81, 90.00
R / Rfree (%) 25.5 / 29.9

Other elements in 4kqv:

The structure of Topoisomerase IV Atp Binding Domain of Francisella Tularensis in Complex with A Small Molecule Inhibitor also contains other interesting chemical elements:

Iodine (I) 8 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Topoisomerase IV Atp Binding Domain of Francisella Tularensis in Complex with A Small Molecule Inhibitor (pdb code 4kqv). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Topoisomerase IV Atp Binding Domain of Francisella Tularensis in Complex with A Small Molecule Inhibitor, PDB code: 4kqv:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 4kqv

Go back to Fluorine Binding Sites List in 4kqv
Fluorine binding site 1 out of 2 in the Topoisomerase IV Atp Binding Domain of Francisella Tularensis 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 Topoisomerase IV Atp Binding Domain of Francisella Tularensis in Complex with A Small Molecule Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F403

b:41.9
occ:1.00
F30 A:DOO403 0.0 41.9 1.0
C6 A:DOO403 1.3 36.7 1.0
C1 A:DOO403 2.3 35.1 1.0
C5 A:DOO403 2.4 35.4 1.0
CG1 A:VAL115 2.9 36.5 1.0
C4 A:DOO403 3.6 34.8 1.0
C2 A:DOO403 3.6 35.0 1.0
CB A:ASN41 3.9 37.0 1.0
CB A:VAL115 3.9 36.1 1.0
CD1 A:ILE38 4.0 28.9 1.0
CG A:ASN41 4.0 35.3 1.0
C3 A:DOO403 4.1 34.6 1.0
CG1 A:ILE164 4.2 38.8 1.0
CG2 A:VAL115 4.2 32.3 1.0
CE A:MET73 4.3 42.0 0.5
OD1 A:ASN41 4.4 33.6 1.0
CG2 A:ILE38 4.4 29.4 1.0
CE A:MET90 4.5 34.7 1.0
ND2 A:ASN41 4.5 37.4 1.0
SD A:MET73 4.6 49.2 0.5
CD1 A:ILE164 4.6 39.0 1.0
C23 A:DOO403 4.7 36.3 1.0
N31 A:DOO403 4.7 36.5 1.0
CA A:ILE38 4.8 32.7 1.0
O A:ILE38 4.8 31.2 1.0
C7 A:DOO403 5.0 35.0 1.0

Fluorine binding site 2 out of 2 in 4kqv

Go back to Fluorine Binding Sites List in 4kqv
Fluorine binding site 2 out of 2 in the Topoisomerase IV Atp Binding Domain of Francisella Tularensis 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 2 of Topoisomerase IV Atp Binding Domain of Francisella Tularensis in Complex with A Small Molecule Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F403

b:65.0
occ:1.00
F30 B:DOO403 0.0 65.0 1.0
C6 B:DOO403 1.3 61.8 1.0
C1 B:DOO403 2.3 59.8 1.0
C5 B:DOO403 2.4 64.2 1.0
CG2 B:VAL115 3.0 56.5 1.0
CD1 B:ILE164 3.3 54.0 1.0
C4 B:DOO403 3.6 62.6 1.0
C2 B:DOO403 3.6 60.4 1.0
CB B:ASN41 3.9 58.9 1.0
CG B:ASN41 4.0 63.0 1.0
CD1 B:ILE38 4.0 45.6 1.0
CB B:VAL115 4.1 59.7 1.0
CG1 B:VAL115 4.1 56.2 1.0
C3 B:DOO403 4.1 62.5 1.0
ND2 B:ASN41 4.2 58.4 1.0
OD1 B:ASN41 4.4 61.0 1.0
CG2 B:ILE38 4.4 52.0 1.0
CE B:MET73 4.5 43.3 0.5
SD B:MET73 4.6 44.9 0.5
CE B:MET90 4.7 60.2 1.0
CG1 B:ILE164 4.7 53.6 1.0
N31 B:DOO403 4.8 60.9 1.0
CA B:ILE38 4.8 55.1 1.0
O B:ILE38 4.8 55.4 1.0
C23 B:DOO403 5.0 52.5 1.0
C7 B:DOO403 5.0 62.4 1.0
CB B:ILE38 5.0 52.5 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: Sun Dec 13 12:06:31 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy