Atomistry » Chlorine » PDB 8qj3-8qx1 » 8qmc
Atomistry »
  Chlorine »
    PDB 8qj3-8qx1 »
      8qmc »

Chlorine in PDB 8qmc: High Resolution Structure of the Streptococcus Pneumoniae Topoisomerase IV-Complex with the V-Site 18MER Dsdna and Novel Fluoroquinolone Delafloxacin

Enzymatic activity of High Resolution Structure of the Streptococcus Pneumoniae Topoisomerase IV-Complex with the V-Site 18MER Dsdna and Novel Fluoroquinolone Delafloxacin

All present enzymatic activity of High Resolution Structure of the Streptococcus Pneumoniae Topoisomerase IV-Complex with the V-Site 18MER Dsdna and Novel Fluoroquinolone Delafloxacin:
5.6.2.2;

Protein crystallography data

The structure of High Resolution Structure of the Streptococcus Pneumoniae Topoisomerase IV-Complex with the V-Site 18MER Dsdna and Novel Fluoroquinolone Delafloxacin, PDB code: 8qmc was solved by S.Najmudin, X.S.Pan, B.Wang, N.E.Chayen, L.M.Fisher, M.R.Sanderson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 64.86 / 2.40
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 157.14, 157.14, 211.636, 90, 90, 120
R / Rfree (%) 24.1 / 29.9

Other elements in 8qmc:

The structure of High Resolution Structure of the Streptococcus Pneumoniae Topoisomerase IV-Complex with the V-Site 18MER Dsdna and Novel Fluoroquinolone Delafloxacin also contains other interesting chemical elements:

Fluorine (F) 6 atoms
Magnesium (Mg) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the High Resolution Structure of the Streptococcus Pneumoniae Topoisomerase IV-Complex with the V-Site 18MER Dsdna and Novel Fluoroquinolone Delafloxacin (pdb code 8qmc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the High Resolution Structure of the Streptococcus Pneumoniae Topoisomerase IV-Complex with the V-Site 18MER Dsdna and Novel Fluoroquinolone Delafloxacin, PDB code: 8qmc:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 8qmc

Go back to Chlorine Binding Sites List in 8qmc
Chlorine binding site 1 out of 4 in the High Resolution Structure of the Streptococcus Pneumoniae Topoisomerase IV-Complex with the V-Site 18MER Dsdna and Novel Fluoroquinolone Delafloxacin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of High Resolution Structure of the Streptococcus Pneumoniae Topoisomerase IV-Complex with the V-Site 18MER Dsdna and Novel Fluoroquinolone Delafloxacin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1508

b:17.6
occ:1.00
HH12 A:ARG1371 2.6 30.0 0.0
HH22 A:ARG1426 2.7 16.0 1.0
HH21 A:ARG1426 2.8 15.5 1.0
NH2 A:ARG1426 3.1 15.9 1.0
NH1 A:ARG1371 3.4 10.1 1.0
HH21 A:ARG1371 3.5 10.1 1.0
HD11 A:LEU1378 3.6 14.8 1.0
O A:HOH1793 3.7 8.2 1.0
HD12 A:LEU1378 3.9 14.9 1.0
HH11 A:ARG1371 4.0 30.0 0.0
NH2 A:ARG1371 4.1 10.1 1.0
CD1 A:LEU1378 4.2 15.0 1.0
CZ A:ARG1371 4.2 9.9 1.0
HD23 A:LEU1422 4.3 11.8 1.0
CZ A:ARG1426 4.4 16.2 1.0
HD13 A:LEU1378 4.5 14.7 1.0
HD21 A:LEU1422 4.7 11.9 1.0
HD22 A:LEU1422 4.7 12.0 1.0
HH22 A:ARG1371 4.7 10.2 1.0
CD2 A:LEU1422 4.8 12.0 1.0
HH12 A:ARG1426 4.9 30.0 0.0
O A:HOH1602 4.9 11.4 1.0
HG22 A:ILE1374 5.0 12.4 1.0
HD23 A:LEU1378 5.0 15.7 1.0

Chlorine binding site 2 out of 4 in 8qmc

Go back to Chlorine Binding Sites List in 8qmc
Chlorine binding site 2 out of 4 in the High Resolution Structure of the Streptococcus Pneumoniae Topoisomerase IV-Complex with the V-Site 18MER Dsdna and Novel Fluoroquinolone Delafloxacin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of High Resolution Structure of the Streptococcus Pneumoniae Topoisomerase IV-Complex with the V-Site 18MER Dsdna and Novel Fluoroquinolone Delafloxacin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1505

b:15.2
occ:1.00
HH12 B:ARG1426 2.6 30.0 0.0
HH12 B:ARG1371 2.6 30.0 0.0
O B:HOH1785 3.1 12.6 1.0
H12 B:MPD1501 3.3 12.0 1.0
NH1 B:ARG1426 3.3 17.5 1.0
HH11 B:ARG1426 3.4 30.0 0.0
NH1 B:ARG1371 3.5 8.0 1.0
HD11 B:LEU1378 3.6 7.7 1.0
HH11 B:ARG1371 3.9 30.0 0.0
HD12 B:LEU1378 3.9 7.6 1.0
HH21 B:ARG1371 4.0 7.7 1.0
C1 B:MPD1501 4.1 12.1 1.0
HD23 B:LEU1422 4.2 9.1 1.0
CD1 B:LEU1378 4.2 7.6 1.0
H11 B:MPD1501 4.3 12.4 1.0
HD22 B:LEU1422 4.3 9.3 1.0
CZ B:ARG1371 4.4 7.6 1.0
NH2 B:ARG1371 4.4 7.6 1.0
HM3 B:MPD1501 4.4 12.4 1.0
HH21 B:ARG1426 4.4 17.3 1.0
H13 B:MPD1501 4.5 12.0 1.0
CZ B:ARG1426 4.5 17.3 1.0
CD2 B:LEU1422 4.6 9.4 1.0
HD13 B:LEU1378 4.6 7.3 1.0
HD21 B:LEU1422 4.6 9.5 1.0
NH2 B:ARG1426 4.8 17.5 1.0
HD23 B:LEU1378 4.9 8.4 1.0
HG23 B:ILE1374 4.9 8.0 1.0
HG22 B:ILE1374 5.0 7.7 1.0
HH22 B:ARG1371 5.0 7.4 1.0

Chlorine binding site 3 out of 4 in 8qmc

Go back to Chlorine Binding Sites List in 8qmc
Chlorine binding site 3 out of 4 in the High Resolution Structure of the Streptococcus Pneumoniae Topoisomerase IV-Complex with the V-Site 18MER Dsdna and Novel Fluoroquinolone Delafloxacin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of High Resolution Structure of the Streptococcus Pneumoniae Topoisomerase IV-Complex with the V-Site 18MER Dsdna and Novel Fluoroquinolone Delafloxacin within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl101

b:25.2
occ:1.00
CL1 F:TE9101 0.0 25.2 1.0
C14 F:TE9101 1.7 25.5 1.0
H10 F:TE9101 2.3 26.9 1.0
N2 F:TE9101 2.3 23.7 1.0
C2 F:TE9101 2.5 23.2 1.0
C10 F:TE9101 2.7 26.8 1.0
C15 F:TE9101 2.7 24.7 1.0
HB3 A:ARG456 2.8 28.8 1.0
C13 F:TE9101 2.9 27.5 1.0
C1 F:TE9101 2.9 23.6 1.0
N4 F:TE9101 3.0 27.5 1.0
N3 F:TE9101 3.0 23.7 1.0
H9 F:TE9101 3.2 27.2 1.0
C16 F:TE9101 3.4 22.9 1.0
O A:ARG456 3.4 27.4 1.0
N1 F:TE9101 3.5 24.0 1.0
H2 F:TE9101 3.5 24.5 1.0
HD3 A:ARG456 3.6 30.4 1.0
C18 F:TE9101 3.6 23.2 1.0
CB A:ARG456 3.8 29.4 1.0
C17 F:TE9101 3.8 22.8 1.0
C2 F:DA5 3.9 21.3 1.0
C9 F:TE9101 4.0 27.5 1.0
C7 F:TE9101 4.0 25.6 1.0
C A:ARG456 4.0 28.1 1.0
H2 F:DA5 4.0 20.9 1.0
H8 F:TE9101 4.1 30.0 0.0
N3 F:DA5 4.1 22.6 1.0
HB2 A:ARG456 4.2 29.6 1.0
N1 F:DA5 4.2 21.2 1.0
H1 F:TE9101 4.2 24.1 1.0
C12 F:TE9101 4.2 29.0 1.0
F2 F:TE9101 4.3 23.2 1.0
CA A:ARG456 4.3 29.2 1.0
HA A:ARG456 4.3 29.2 1.0
C11 F:TE9101 4.4 29.2 1.0
CD A:ARG456 4.4 31.2 1.0
C3 F:TE9101 4.4 24.0 1.0
C4 F:DA5 4.5 23.8 1.0
HD2 A:ARG456 4.5 31.1 1.0
C8 F:TE9101 4.5 27.0 1.0
C6 F:DA5 4.6 22.4 1.0
O4 F:TE9101 4.6 29.3 1.0
H11 F:TE9101 4.6 22.6 1.0
F3 F:TE9101 4.7 23.9 1.0
CG A:ARG456 4.7 31.0 1.0
N3 H:DA1 4.7 56.1 1.0
C5 F:DA5 4.7 23.5 1.0
H3 E:DT15 4.8 22.7 1.0
H6 F:TE9101 4.8 29.8 1.0
HA3 A:GLY457 4.9 26.6 1.0
H3 F:TE9101 4.9 23.7 1.0
N A:GLY457 5.0 28.0 1.0
C2 H:DA1 5.0 55.0 1.0
O H:HOH207 5.0 11.1 1.0
H7 F:TE9101 5.0 29.5 1.0

Chlorine binding site 4 out of 4 in 8qmc

Go back to Chlorine Binding Sites List in 8qmc
Chlorine binding site 4 out of 4 in the High Resolution Structure of the Streptococcus Pneumoniae Topoisomerase IV-Complex with the V-Site 18MER Dsdna and Novel Fluoroquinolone Delafloxacin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of High Resolution Structure of the Streptococcus Pneumoniae Topoisomerase IV-Complex with the V-Site 18MER Dsdna and Novel Fluoroquinolone Delafloxacin within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl101

b:41.8
occ:1.00
CL1 H:TE9101 0.0 41.8 1.0
C14 H:TE9101 1.7 42.7 1.0
N2 H:TE9101 2.2 40.7 1.0
H10 H:TE9101 2.3 42.9 1.0
C2 H:TE9101 2.6 40.5 1.0
C10 H:TE9101 2.7 43.8 1.0
C15 H:TE9101 2.7 42.4 1.0
C13 H:TE9101 2.8 43.5 1.0
C1 H:TE9101 2.9 40.1 1.0
N4 H:TE9101 3.0 44.2 1.0
N3 H:TE9101 3.0 41.3 1.0
HB3 B:ARG456 3.0 26.7 1.0
H9 H:TE9101 3.1 43.3 1.0
N1 H:TE9101 3.4 40.2 1.0
O B:ARG456 3.4 23.1 1.0
C16 H:TE9101 3.5 39.8 1.0
H2 H:TE9101 3.6 40.8 1.0
C18 H:TE9101 3.7 39.3 1.0
C B:ARG456 3.9 24.5 1.0
H1 H:TE9101 3.9 39.9 1.0
C17 H:TE9101 3.9 39.2 1.0
CB B:ARG456 3.9 27.3 1.0
C2 H:DG5 4.0 42.9 1.0
C9 H:TE9101 4.0 44.5 1.0
C7 H:TE9101 4.0 43.3 1.0
H22 H:DG5 4.0 41.8 1.0
N2 H:DG5 4.1 42.4 1.0
H8 H:TE9101 4.1 30.0 0.0
N3 H:DG5 4.2 43.5 1.0
C12 H:TE9101 4.2 44.4 1.0
HD3 B:ARG456 4.3 28.6 1.0
CA B:ARG456 4.3 26.4 1.0
HA B:ARG456 4.3 26.4 1.0
N1 H:DG5 4.3 43.1 1.0
C11 H:TE9101 4.3 45.2 1.0
HB2 B:ARG456 4.4 27.3 1.0
HA3 B:GLY457 4.4 22.7 1.0
C3 H:TE9101 4.4 41.4 1.0
F2 H:TE9101 4.4 40.1 1.0
H21 F:DG1 4.5 48.6 1.0
C8 H:TE9101 4.5 44.4 1.0
H1 H:DG5 4.6 42.7 1.0
H21 H:DG5 4.6 42.1 1.0
N B:GLY457 4.6 24.0 1.0
C4 H:DG5 4.6 44.6 1.0
O4 H:TE9101 4.7 44.1 1.0
F3 H:TE9101 4.7 38.9 1.0
H6 H:TE9101 4.7 45.6 1.0
N3 F:DG1 4.8 47.5 1.0
H11 H:TE9101 4.8 38.6 1.0
C6 H:DG5 4.9 44.2 1.0
H3 H:TE9101 4.9 40.8 1.0
O F:HOH201 4.9 8.9 1.0
CG B:ARG456 4.9 28.8 1.0
H7 H:TE9101 5.0 44.5 1.0
HG2 B:ARG456 5.0 28.7 1.0
C2 F:DG1 5.0 46.1 1.0

Reference:

S.Najmudin, X.S.Pan, B.Wang, N.E.Chayen, L.M.Fisher, M.R.Sanderson. The Nature of the Molecular Interactions at High Resolution of the Streptococcus Pneumoniae Topoisomerase IV-Dna Complex with the Novel Fluoroquinolone Delafloxacin. To Be Published.
Page generated: Thu Oct 31 17:57:31 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy