Chlorine in PDB 7ku9: The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase with Sodium Ion at the Metal Coordination Site, Two Molecules of F6F Inhibitor at the Enzyme Alpha-Site and Another F6F Molecule at the Enzyme Beta-Site at 1.40 Angstrom Resolution

Enzymatic activity of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase with Sodium Ion at the Metal Coordination Site, Two Molecules of F6F Inhibitor at the Enzyme Alpha-Site and Another F6F Molecule at the Enzyme Beta-Site at 1.40 Angstrom Resolution

All present enzymatic activity of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase with Sodium Ion at the Metal Coordination Site, Two Molecules of F6F Inhibitor at the Enzyme Alpha-Site and Another F6F Molecule at the Enzyme Beta-Site at 1.40 Angstrom Resolution:
4.2.1.20;

Protein crystallography data

The structure of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase with Sodium Ion at the Metal Coordination Site, Two Molecules of F6F Inhibitor at the Enzyme Alpha-Site and Another F6F Molecule at the Enzyme Beta-Site at 1.40 Angstrom Resolution, PDB code: 7ku9 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) 36.79 / 1.40
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 183.259, 58.9, 67.23, 90, 94.82, 90
R / Rfree (%) 13.6 / 17.7

Other elements in 7ku9:

The structure of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase with Sodium Ion at the Metal Coordination Site, Two Molecules of F6F Inhibitor at the Enzyme Alpha-Site and Another F6F Molecule at the Enzyme Beta-Site at 1.40 Angstrom Resolution also contains other interesting chemical elements:

Sodium (Na) 1 atom
Fluorine (F) 9 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase with Sodium Ion at the Metal Coordination Site, Two Molecules of F6F Inhibitor at the Enzyme Alpha-Site and Another F6F Molecule at the Enzyme Beta-Site at 1.40 Angstrom Resolution (pdb code 7ku9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase with Sodium Ion at the Metal Coordination Site, Two Molecules of F6F Inhibitor at the Enzyme Alpha-Site and Another F6F Molecule at the Enzyme Beta-Site at 1.40 Angstrom Resolution, PDB code: 7ku9:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 7ku9

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Chlorine binding site 1 out of 3 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase with Sodium Ion at the Metal Coordination Site, Two Molecules of F6F Inhibitor at the Enzyme Alpha-Site and Another F6F Molecule at the Enzyme Beta-Site at 1.40 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase with Sodium Ion at the Metal Coordination Site, Two Molecules of F6F Inhibitor at the Enzyme Alpha-Site and Another F6F Molecule at the Enzyme Beta-Site at 1.40 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl311

b:66.9
occ:1.00
 CB A:SER168 4.2 19.8 1.0
O A:ARG164 4.2 21.0 1.0
OG A:SER168 4.4 25.8 1.0
CA A:GLN165 4.5 19.0 1.0
CG A:GLN165 4.5 26.7 1.0
C A:ARG164 4.6 19.9 1.0
N A:GLN165 4.7 18.8 1.0
CE1 A:TYR169 4.7 34.4 1.0
OH A:TYR169 4.8 41.3 1.0
CZ A:TYR169 5.0 32.8 1.0
CB A:ARG164 5.0 23.8 1.0

Chlorine binding site 2 out of 3 in 7ku9

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Chlorine binding site 2 out of 3 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase with Sodium Ion at the Metal Coordination Site, Two Molecules of F6F Inhibitor at the Enzyme Alpha-Site and Another F6F Molecule at the Enzyme Beta-Site at 1.40 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase with Sodium Ion at the Metal Coordination Site, Two Molecules of F6F Inhibitor at the Enzyme Alpha-Site and Another F6F Molecule at the Enzyme Beta-Site at 1.40 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1032

b:68.7
occ:1.00
 O B:HOH1488 4.5 49.9 1.0
O B:HOH1531 4.8 44.6 1.0
O B:HOH1527 4.9 23.7 1.0
O B:HOH1148 4.9 19.8 1.0
O B:HOH1604 4.9 34.0 1.0
O B:HOH1494 5.0 19.1 1.0

Chlorine binding site 3 out of 3 in 7ku9

Go back to Chlorine Binding Sites List in 7ku9
Chlorine binding site 3 out of 3 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase with Sodium Ion at the Metal Coordination Site, Two Molecules of F6F Inhibitor at the Enzyme Alpha-Site and Another F6F Molecule at the Enzyme Beta-Site at 1.40 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase with Sodium Ion at the Metal Coordination Site, Two Molecules of F6F Inhibitor at the Enzyme Alpha-Site and Another F6F Molecule at the Enzyme Beta-Site at 1.40 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1033

b:75.8
occ:1.00
 O B:HOH1469 2.8 56.5 1.0
O B:GLY395 3.6 56.6 1.0
C B:GLY395 4.1 52.8 1.0
O B:LEU391 4.3 42.6 1.0
CA B:GLY395 4.6 55.6 1.0
O B:HOH1472 4.7 47.7 1.0
CA B:LYS392 4.8 39.1 1.0
C B:LEU391 4.8 37.8 1.0

Reference:

E.Hilario, M.F.Dunn, L.J.Mueller. The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase with Sodium Ion at the Metal Coordination Site, Two Molecules of F6F Inhibitor at the Enzyme Alpha-Site and Another F6F Molecule at the Enzyme Beta-Site at 1.40 Angstrom Resolution. To Be Published.
Page generated: Mon Jul 29 23:45:41 2024

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