Atomistry » Chlorine » PDB 8qk4-8qsf » 8qmc
Atomistry »
  Chlorine »
    PDB 8qk4-8qsf »
      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: Sun Jul 13 13:34:52 2025

Last articles

F in 7PRV
F in 7PRW
F in 7PMQ
F in 7PRX
F in 7PPH
F in 7PRM
F in 7PQV
F in 7PQS
F in 7PMM
F in 7POL
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy