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Magnesium in PDB 4z3o: Quinolone(Moxifloxacin)-Dna Cleavage Complex of Topoisomerase IV From S. Pneumoniae

Enzymatic activity of Quinolone(Moxifloxacin)-Dna Cleavage Complex of Topoisomerase IV From S. Pneumoniae

All present enzymatic activity of Quinolone(Moxifloxacin)-Dna Cleavage Complex of Topoisomerase IV From S. Pneumoniae:
5.99.1.3;

Protein crystallography data

The structure of Quinolone(Moxifloxacin)-Dna Cleavage Complex of Topoisomerase IV From S. Pneumoniae, PDB code: 4z3o was solved by I.Laponogov, D.A.Veselkov, X.-S.Pan, J.Selvarajah, I.M.-T.Crevel, 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) 70.34 / 3.44
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 157.760, 157.760, 211.020, 90.00, 90.00, 120.00
R / Rfree (%) 18.2 / 21.2

Other elements in 4z3o:

The structure of Quinolone(Moxifloxacin)-Dna Cleavage Complex of Topoisomerase IV From S. Pneumoniae also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Quinolone(Moxifloxacin)-Dna Cleavage Complex of Topoisomerase IV From S. Pneumoniae (pdb code 4z3o). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Quinolone(Moxifloxacin)-Dna Cleavage Complex of Topoisomerase IV From S. Pneumoniae, PDB code: 4z3o:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 4z3o

Go back to Magnesium Binding Sites List in 4z3o
Magnesium binding site 1 out of 4 in the Quinolone(Moxifloxacin)-Dna Cleavage Complex of Topoisomerase IV From S. Pneumoniae


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Quinolone(Moxifloxacin)-Dna Cleavage Complex of Topoisomerase IV From S. Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1501

b:83.5
occ:1.00
 OD2 A:ASP508 2.8 0.8 1.0
OD2 A:ASP506 2.9 0.2 1.0
OD1 A:ASP508 3.3 0.8 1.0
CG A:ASP508 3.4 0.4 1.0
CG A:ASP506 3.7 0.8 1.0
OP1 G:DT15 3.8 0.7 1.0
CB A:ASP506 4.0 0.9 1.0
C5' G:DT15 4.2 0.9 1.0
OE1 A:GLU433 4.2 0.9 1.0
O3' G:DT15 4.6 0.1 1.0
OD1 A:ASP506 4.7 0.0 1.0
CB A:ASP508 4.8 0.7 1.0
O5' G:DT15 4.9 0.1 1.0
O A:LYS581 4.9 99.9 1.0
P G:DT15 5.0 99.2 1.0

Magnesium binding site 2 out of 4 in 4z3o

Go back to Magnesium Binding Sites List in 4z3o
Magnesium binding site 2 out of 4 in the Quinolone(Moxifloxacin)-Dna Cleavage Complex of Topoisomerase IV From S. Pneumoniae


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Quinolone(Moxifloxacin)-Dna Cleavage Complex of Topoisomerase IV From S. Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1502

b:0.9
occ:1.00
 O H:MFX101 2.0 0.5 1.0
O02 H:MFX101 2.0 0.6 1.0
C19 H:MFX101 3.0 0.9 1.0
C20 H:MFX101 3.0 0.2 1.0
C18 H:MFX101 3.3 0.1 1.0
O03 H:MFX101 4.1 0.5 1.0
N6 F:DA1 4.2 0.6 1.0
C14 H:MFX101 4.2 0.3 1.0
O4 G:DT15 4.2 0.8 1.0
CB A:SER1079 4.5 81.0 1.0
C17 H:MFX101 4.6 0.8 1.0
C16 H:MFX101 4.7 0.7 1.0
OD2 A:ASP1083 4.8 84.3 1.0
N6 H:DA5 4.8 0.9 1.0

Magnesium binding site 3 out of 4 in 4z3o

Go back to Magnesium Binding Sites List in 4z3o
Magnesium binding site 3 out of 4 in the Quinolone(Moxifloxacin)-Dna Cleavage Complex of Topoisomerase IV From S. Pneumoniae


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Quinolone(Moxifloxacin)-Dna Cleavage Complex of Topoisomerase IV From S. Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1501

b:73.3
occ:1.00
 OD2 B:ASP508 2.5 0.5 1.0
OD2 B:ASP506 2.7 0.9 1.0
OD1 B:ASP508 3.1 0.1 1.0
CG B:ASP508 3.1 0.5 1.0
CG B:ASP506 3.7 0.1 1.0
OP1 E:DT15 3.8 95.7 1.0
CB B:ASP506 3.9 0.3 1.0
OE1 B:GLU433 4.3 0.4 1.0
C5' E:DT15 4.3 80.8 1.0
O B:LYS581 4.5 0.8 1.0
CB B:ASP508 4.6 0.1 1.0
OD1 B:ASP506 4.8 0.8 1.0
O3' E:DT15 4.8 0.3 1.0
O5' E:DT15 4.9 81.4 1.0
CD B:GLU433 5.0 0.9 1.0

Magnesium binding site 4 out of 4 in 4z3o

Go back to Magnesium Binding Sites List in 4z3o
Magnesium binding site 4 out of 4 in the Quinolone(Moxifloxacin)-Dna Cleavage Complex of Topoisomerase IV From S. Pneumoniae


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Quinolone(Moxifloxacin)-Dna Cleavage Complex of Topoisomerase IV From S. Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1502

b:83.2
occ:1.00
 O F:MFX101 2.0 0.4 1.0
O02 F:MFX101 2.0 0.2 1.0
C19 F:MFX101 3.0 0.4 1.0
C20 F:MFX101 3.0 0.0 1.0
C18 F:MFX101 3.4 0.7 1.0
OG B:SER1079 3.9 1.0 1.0
O4 E:DT15 4.0 97.4 1.0
O03 F:MFX101 4.1 0.3 1.0
O6 H:DG1 4.2 0.4 1.0
C14 F:MFX101 4.3 0.2 1.0
CB B:SER1079 4.3 89.3 1.0
C17 F:MFX101 4.6 0.6 1.0
OD2 B:ASP1083 4.8 85.2 1.0
C16 F:MFX101 4.8 0.5 1.0
N6 F:DA5 4.8 0.4 1.0
N4 F:DC4 5.0 0.8 1.0

Reference:

I.Laponogov, D.A.Veselkov, X.-S.Pan, J.Selvarajah, I.M.-T.Crevel, L.M.Fisher, M.R.Sanderson. Structural Studies of the Drug-Stabilized Cleavage Complexes of Topoisomerase IV and Gyrase From Streptococcus Pneumoniae To Be Published.
Page generated: Sat Sep 28 23:36:58 2024

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