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Chlorine in PDB 2c97: Lumazine Synthase From Mycobacterium Tuberculosis Bound to 4-(6- Chloro-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)Butyl Phosphate
Enzymatic activity of Lumazine Synthase From Mycobacterium Tuberculosis Bound to 4-(6- Chloro-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)Butyl Phosphate
All present enzymatic activity of Lumazine Synthase From Mycobacterium Tuberculosis Bound to 4-(6- Chloro-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)Butyl Phosphate:
2.5.1.9;
2.5.1.9;
Protein crystallography data
The structure of Lumazine Synthase From Mycobacterium Tuberculosis Bound to 4-(6- Chloro-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)Butyl Phosphate, PDB code: 2c97
was solved by
E.Morgunova,
B.Illarionov,
G.Jin,
I.Haase,
M.Fischer,
M.Cushman,
A.Bacher,
R.Ladenstein,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 15.00 / 2.00 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 131.640, 82.244, 86.346, 90.00, 120.53, 90.00 |
| R / Rfree (%) | 14.6 / 21.5 |
Other elements in 2c97:
The structure of Lumazine Synthase From Mycobacterium Tuberculosis Bound to 4-(6- Chloro-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)Butyl Phosphate also contains other interesting chemical elements:
| Potassium | (K) | 16 atoms |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Lumazine Synthase From Mycobacterium Tuberculosis Bound to 4-(6- Chloro-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)Butyl Phosphate
(pdb code 2c97). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Lumazine Synthase From Mycobacterium Tuberculosis Bound to 4-(6- Chloro-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)Butyl Phosphate, PDB code: 2c97:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;
In total 5 binding sites of Chlorine where determined in the Lumazine Synthase From Mycobacterium Tuberculosis Bound to 4-(6- Chloro-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)Butyl Phosphate, PDB code: 2c97:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;
Chlorine binding site 1 out of 5 in 2c97
Go back to
Chlorine Binding Sites List in 2c97
Chlorine binding site 1 out
of 5 in the Lumazine Synthase From Mycobacterium Tuberculosis Bound to 4-(6- Chloro-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)Butyl Phosphate
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Lumazine Synthase From Mycobacterium Tuberculosis Bound to 4-(6- Chloro-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)Butyl Phosphate within 5.0Å range:
|
Chlorine binding site 2 out of 5 in 2c97
Go back to
Chlorine Binding Sites List in 2c97
Chlorine binding site 2 out
of 5 in the Lumazine Synthase From Mycobacterium Tuberculosis Bound to 4-(6- Chloro-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)Butyl Phosphate
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Lumazine Synthase From Mycobacterium Tuberculosis Bound to 4-(6- Chloro-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)Butyl Phosphate within 5.0Å range:
|
Chlorine binding site 3 out of 5 in 2c97
Go back to
Chlorine Binding Sites List in 2c97
Chlorine binding site 3 out
of 5 in the Lumazine Synthase From Mycobacterium Tuberculosis Bound to 4-(6- Chloro-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)Butyl Phosphate
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Lumazine Synthase From Mycobacterium Tuberculosis Bound to 4-(6- Chloro-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)Butyl Phosphate within 5.0Å range:
|
Chlorine binding site 4 out of 5 in 2c97
Go back to
Chlorine Binding Sites List in 2c97
Chlorine binding site 4 out
of 5 in the Lumazine Synthase From Mycobacterium Tuberculosis Bound to 4-(6- Chloro-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)Butyl Phosphate
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Lumazine Synthase From Mycobacterium Tuberculosis Bound to 4-(6- Chloro-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)Butyl Phosphate within 5.0Å range:
|
Chlorine binding site 5 out of 5 in 2c97
Go back to
Chlorine Binding Sites List in 2c97
Chlorine binding site 5 out
of 5 in the Lumazine Synthase From Mycobacterium Tuberculosis Bound to 4-(6- Chloro-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)Butyl Phosphate
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Lumazine Synthase From Mycobacterium Tuberculosis Bound to 4-(6- Chloro-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)Butyl Phosphate within 5.0Å range:
|
Reference:
E.Morgunova,
B.Illarionov,
T.Sambaiah,
I.Haase,
A.Bacher,
M.Cushman,
M.Fischer,
R.Ladenstein.
Structural and Thermodynamic Insights Into the Binding Mode of Five Novel Inhibitors of Lumazine Synthase From Mycobacterium Tuberculosis. Febs J. V. 273 4790 2006.
ISSN: ISSN 1742-464X
PubMed: 16984393
DOI: 10.1111/J.1742-4658.2006.05481.X
Page generated: Sat Jul 20 06:14:09 2024
ISSN: ISSN 1742-464X
PubMed: 16984393
DOI: 10.1111/J.1742-4658.2006.05481.X
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