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Fluorine in PDB 4fog: Crystal Structure of Mtb Thya in Complex with 5-Fluoro-Dump and 5- Methyltetrahydrofolic Acid
Enzymatic activity of Crystal Structure of Mtb Thya in Complex with 5-Fluoro-Dump and 5- Methyltetrahydrofolic Acid
All present enzymatic activity of Crystal Structure of Mtb Thya in Complex with 5-Fluoro-Dump and 5- Methyltetrahydrofolic Acid:
2.1.1.45;
2.1.1.45;
Protein crystallography data
The structure of Crystal Structure of Mtb Thya in Complex with 5-Fluoro-Dump and 5- Methyltetrahydrofolic Acid, PDB code: 4fog
was solved by
M.C.M.Reddy,
J.B.Bruning,
W.Harshbarger,
J.C.Sacchettini,
Tb Structuralgenomics Consortium (Tbsgc),
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 42.94 / 2.40 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 184.328, 82.317, 125.980, 90.00, 132.30, 90.00 |
| R / Rfree (%) | 21.1 / 26 |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Mtb Thya in Complex with 5-Fluoro-Dump and 5- Methyltetrahydrofolic Acid
(pdb code 4fog). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of Mtb Thya in Complex with 5-Fluoro-Dump and 5- Methyltetrahydrofolic Acid, PDB code: 4fog:
Jump to Fluorine binding site number: 1; 2; 3; 4;
In total 4 binding sites of Fluorine where determined in the Crystal Structure of Mtb Thya in Complex with 5-Fluoro-Dump and 5- Methyltetrahydrofolic Acid, PDB code: 4fog:
Jump to Fluorine binding site number: 1; 2; 3; 4;
Fluorine binding site 1 out of 4 in 4fog
Go back to
Fluorine Binding Sites List in 4fog
Fluorine binding site 1 out
of 4 in the Crystal Structure of Mtb Thya in Complex with 5-Fluoro-Dump and 5- Methyltetrahydrofolic Acid
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 1 of Crystal Structure of Mtb Thya in Complex with 5-Fluoro-Dump and 5- Methyltetrahydrofolic Acid within 5.0Å range:
|
Fluorine binding site 2 out of 4 in 4fog
Go back to
Fluorine Binding Sites List in 4fog
Fluorine binding site 2 out
of 4 in the Crystal Structure of Mtb Thya in Complex with 5-Fluoro-Dump and 5- Methyltetrahydrofolic Acid
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 2 of Crystal Structure of Mtb Thya in Complex with 5-Fluoro-Dump and 5- Methyltetrahydrofolic Acid within 5.0Å range:
|
Fluorine binding site 3 out of 4 in 4fog
Go back to
Fluorine Binding Sites List in 4fog
Fluorine binding site 3 out
of 4 in the Crystal Structure of Mtb Thya in Complex with 5-Fluoro-Dump and 5- Methyltetrahydrofolic Acid
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 3 of Crystal Structure of Mtb Thya in Complex with 5-Fluoro-Dump and 5- Methyltetrahydrofolic Acid within 5.0Å range:
|
Fluorine binding site 4 out of 4 in 4fog
Go back to
Fluorine Binding Sites List in 4fog
Fluorine binding site 4 out
of 4 in the Crystal Structure of Mtb Thya in Complex with 5-Fluoro-Dump and 5- Methyltetrahydrofolic Acid
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Fluorine with other atoms in the F binding
site number 4 of Crystal Structure of Mtb Thya in Complex with 5-Fluoro-Dump and 5- Methyltetrahydrofolic Acid within 5.0Å range:
|
Reference:
M.C.M.Reddy,
J.B.Bruning,
J.C.Sacchettini.
Crystal Structure of Binary and Ternary Complexes of Thymidylate Synthase (Thya) From Mycobacterium Tuberculosis: Insights Into the Selectivity and Mode of Inhibition To Be Published.
Page generated: Mon Jul 14 21:41:16 2025
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