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Fluorine in PDB 7jmq: The External Aldimine Form of the Mutant Beta-S377A Salmonella Thypi Tryptophan Synthase in Open Conformation Showing Dual Side Chain Conformations For the Residue Beta-Q114, Sodium Ion at the Metal Coordination Site, and F9 Inhibitor at the Alpha-Site. One of the Beta-Q114 Rotamer Conformations Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring
Enzymatic activity of The External Aldimine Form of the Mutant Beta-S377A Salmonella Thypi Tryptophan Synthase in Open Conformation Showing Dual Side Chain Conformations For the Residue Beta-Q114, Sodium Ion at the Metal Coordination Site, and F9 Inhibitor at the Alpha-Site. One of the Beta-Q114 Rotamer Conformations Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring
All present enzymatic activity of The External Aldimine Form of the Mutant Beta-S377A Salmonella Thypi Tryptophan Synthase in Open Conformation Showing Dual Side Chain Conformations For the Residue Beta-Q114, Sodium Ion at the Metal Coordination Site, and F9 Inhibitor at the Alpha-Site. One of the Beta-Q114 Rotamer Conformations Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring:
4.2.1.20;
4.2.1.20;
Protein crystallography data
The structure of The External Aldimine Form of the Mutant Beta-S377A Salmonella Thypi Tryptophan Synthase in Open Conformation Showing Dual Side Chain Conformations For the Residue Beta-Q114, Sodium Ion at the Metal Coordination Site, and F9 Inhibitor at the Alpha-Site. One of the Beta-Q114 Rotamer Conformations Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring, PDB code: 7jmq
was solved by
E.Hilario,
M.F.Dunn,
L.J.Mueller,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 38.86 / 1.60 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 181.38, 58.244, 67.154, 90, 94.33, 90 |
| R / Rfree (%) | 15.8 / 18.4 |
Other elements in 7jmq:
The structure of The External Aldimine Form of the Mutant Beta-S377A Salmonella Thypi Tryptophan Synthase in Open Conformation Showing Dual Side Chain Conformations For the Residue Beta-Q114, Sodium Ion at the Metal Coordination Site, and F9 Inhibitor at the Alpha-Site. One of the Beta-Q114 Rotamer Conformations Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring also contains other interesting chemical elements:
| Caesium | (Cs) | 2 atoms |
| Chlorine | (Cl) | 1 atom |
| Sodium | (Na) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the The External Aldimine Form of the Mutant Beta-S377A Salmonella Thypi Tryptophan Synthase in Open Conformation Showing Dual Side Chain Conformations For the Residue Beta-Q114, Sodium Ion at the Metal Coordination Site, and F9 Inhibitor at the Alpha-Site. One of the Beta-Q114 Rotamer Conformations Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring
(pdb code 7jmq). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the The External Aldimine Form of the Mutant Beta-S377A Salmonella Thypi Tryptophan Synthase in Open Conformation Showing Dual Side Chain Conformations For the Residue Beta-Q114, Sodium Ion at the Metal Coordination Site, and F9 Inhibitor at the Alpha-Site. One of the Beta-Q114 Rotamer Conformations Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring, PDB code: 7jmq:
Jump to Fluorine binding site number: 1; 2; 3;
In total 3 binding sites of Fluorine where determined in the The External Aldimine Form of the Mutant Beta-S377A Salmonella Thypi Tryptophan Synthase in Open Conformation Showing Dual Side Chain Conformations For the Residue Beta-Q114, Sodium Ion at the Metal Coordination Site, and F9 Inhibitor at the Alpha-Site. One of the Beta-Q114 Rotamer Conformations Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring, PDB code: 7jmq:
Jump to Fluorine binding site number: 1; 2; 3;
Fluorine binding site 1 out of 3 in 7jmq
Go back to
Fluorine Binding Sites List in 7jmq
Fluorine binding site 1 out
of 3 in the The External Aldimine Form of the Mutant Beta-S377A Salmonella Thypi Tryptophan Synthase in Open Conformation Showing Dual Side Chain Conformations For the Residue Beta-Q114, Sodium Ion at the Metal Coordination Site, and F9 Inhibitor at the Alpha-Site. One of the Beta-Q114 Rotamer Conformations Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring
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 The External Aldimine Form of the Mutant Beta-S377A Salmonella Thypi Tryptophan Synthase in Open Conformation Showing Dual Side Chain Conformations For the Residue Beta-Q114, Sodium Ion at the Metal Coordination Site, and F9 Inhibitor at the Alpha-Site. One of the Beta-Q114 Rotamer Conformations Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring within 5.0Å range:
|
Fluorine binding site 2 out of 3 in 7jmq
Go back to
Fluorine Binding Sites List in 7jmq
Fluorine binding site 2 out
of 3 in the The External Aldimine Form of the Mutant Beta-S377A Salmonella Thypi Tryptophan Synthase in Open Conformation Showing Dual Side Chain Conformations For the Residue Beta-Q114, Sodium Ion at the Metal Coordination Site, and F9 Inhibitor at the Alpha-Site. One of the Beta-Q114 Rotamer Conformations Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring
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 The External Aldimine Form of the Mutant Beta-S377A Salmonella Thypi Tryptophan Synthase in Open Conformation Showing Dual Side Chain Conformations For the Residue Beta-Q114, Sodium Ion at the Metal Coordination Site, and F9 Inhibitor at the Alpha-Site. One of the Beta-Q114 Rotamer Conformations Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring within 5.0Å range:
|
Fluorine binding site 3 out of 3 in 7jmq
Go back to
Fluorine Binding Sites List in 7jmq
Fluorine binding site 3 out
of 3 in the The External Aldimine Form of the Mutant Beta-S377A Salmonella Thypi Tryptophan Synthase in Open Conformation Showing Dual Side Chain Conformations For the Residue Beta-Q114, Sodium Ion at the Metal Coordination Site, and F9 Inhibitor at the Alpha-Site. One of the Beta-Q114 Rotamer Conformations Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring
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 The External Aldimine Form of the Mutant Beta-S377A Salmonella Thypi Tryptophan Synthase in Open Conformation Showing Dual Side Chain Conformations For the Residue Beta-Q114, Sodium Ion at the Metal Coordination Site, and F9 Inhibitor at the Alpha-Site. One of the Beta-Q114 Rotamer Conformations Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring within 5.0Å range:
|
Reference:
E.Hilario,
M.F.Dunn,
L.J.Mueller.
The External Aldimine Form of Mutant Beta-S377A Salmonella Thypi Tryptophan Synthase in Open Conformation Showing Dual Side Chain Conformations For the Residue Beta-Q114, Sodium Ion at the Metal Coordination Site, and F9 Inhibitor at the Alpha-Site. One of the Beta-Q114 Rotamer Conformations Allows A Hydrogen Bond to Form with the Plp Oxygen at the Position 3 in the Ring. To Be Published.
Page generated: Tue Jul 15 20:31:28 2025
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