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Caesium in PDB 6vfd: Tryptophan Synthase Mutant Q114A in Complex with Cesium Ion at the Metal Coordination Site and 2-Aminophenol Quinonoid at the Enzyme Beta Site

Enzymatic activity of Tryptophan Synthase Mutant Q114A in Complex with Cesium Ion at the Metal Coordination Site and 2-Aminophenol Quinonoid at the Enzyme Beta Site

All present enzymatic activity of Tryptophan Synthase Mutant Q114A in Complex with Cesium Ion at the Metal Coordination Site and 2-Aminophenol Quinonoid at the Enzyme Beta Site:
4.2.1.20;

Protein crystallography data

The structure of Tryptophan Synthase Mutant Q114A in Complex with Cesium Ion at the Metal Coordination Site and 2-Aminophenol Quinonoid at the Enzyme Beta Site, PDB code: 6vfd was solved by E.Hilario, L.Fan, 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) 29.69 / 1.70
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 183.079, 59.340, 67.440, 90.00, 94.85, 90.00
R / Rfree (%) 19.5 / 22.4

Other elements in 6vfd:

The structure of Tryptophan Synthase Mutant Q114A in Complex with Cesium Ion at the Metal Coordination Site and 2-Aminophenol Quinonoid at the Enzyme Beta Site also contains other interesting chemical elements:

Chlorine (Cl) 16 atoms

Caesium Binding Sites:

The binding sites of Caesium atom in the Tryptophan Synthase Mutant Q114A in Complex with Cesium Ion at the Metal Coordination Site and 2-Aminophenol Quinonoid at the Enzyme Beta Site (pdb code 6vfd). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 4 binding sites of Caesium where determined in the Tryptophan Synthase Mutant Q114A in Complex with Cesium Ion at the Metal Coordination Site and 2-Aminophenol Quinonoid at the Enzyme Beta Site, PDB code: 6vfd:
Jump to Caesium binding site number: 1; 2; 3; 4;

Caesium binding site 1 out of 4 in 6vfd

Go back to Caesium Binding Sites List in 6vfd
Caesium binding site 1 out of 4 in the Tryptophan Synthase Mutant Q114A in Complex with Cesium Ion at the Metal Coordination Site and 2-Aminophenol Quinonoid at the Enzyme Beta Site


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of Tryptophan Synthase Mutant Q114A in Complex with Cesium Ion at the Metal Coordination Site and 2-Aminophenol Quinonoid at the Enzyme Beta Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs414

b:23.7
occ:0.78
O B:THR71 3.0 18.7 1.0
O B:THR69 3.1 27.4 1.0
O B:THR66 3.2 25.1 1.0
O B:HOH596 3.2 33.5 1.0
OG1 B:THR66 3.4 22.3 1.0
O B:HOH850 3.4 40.0 1.0
O B:HOH853 3.7 35.1 1.0
O B:HOH947 3.8 51.7 1.0
O B:HOH804 3.8 49.0 1.0
C B:THR66 3.9 24.8 1.0
CB B:THR66 3.9 22.1 1.0
C B:THR69 4.1 26.3 1.0
C B:THR71 4.1 17.7 1.0
OG1 B:THR69 4.3 22.6 1.0
N B:THR71 4.5 18.2 1.0
O B:HOH760 4.5 48.9 1.0
CA B:THR66 4.6 23.2 1.0
N B:ALA67 4.6 25.2 1.0
N B:THR69 4.6 27.4 1.0
O B:HOH576 4.7 16.6 1.0
CA B:ALA67 4.7 27.3 1.0
CA B:ARG70 4.9 25.9 1.0
CA B:THR69 4.9 26.6 1.0
N B:ARG70 4.9 25.8 1.0
C B:ARG70 4.9 23.5 1.0
N B:THR72 4.9 17.8 1.0
N B:GLY68 4.9 29.6 1.0
CA B:THR71 4.9 17.5 1.0

Caesium binding site 2 out of 4 in 6vfd

Go back to Caesium Binding Sites List in 6vfd
Caesium binding site 2 out of 4 in the Tryptophan Synthase Mutant Q114A in Complex with Cesium Ion at the Metal Coordination Site and 2-Aminophenol Quinonoid at the Enzyme Beta Site


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of Tryptophan Synthase Mutant Q114A in Complex with Cesium Ion at the Metal Coordination Site and 2-Aminophenol Quinonoid at the Enzyme Beta Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs415

b:21.0
occ:0.85
CS B:CS415 0.0 21.0 0.8
CS B:CS415 2.5 22.8 0.1
O B:GLY232 2.9 19.6 1.0
O B:PHE306 2.9 19.9 1.0
O B:GLY268 3.0 16.0 1.0
O B:LEU304 3.3 15.5 1.0
O B:SER308 3.5 15.9 1.0
O B:VAL231 3.6 17.6 1.0
C B:GLY232 3.8 18.4 1.0
C B:PHE306 4.0 20.8 1.0
C B:GLY268 4.0 14.8 1.0
CA B:GLY232 4.0 17.9 1.0
CD B:PRO270 4.2 14.7 1.0
CD B:PRO257 4.2 13.4 1.0
N B:PHE306 4.3 20.3 1.0
CB B:PHE306 4.3 20.8 1.0
C B:LEU304 4.4 16.6 1.0
C B:VAL231 4.4 16.6 1.0
CG B:PRO257 4.4 13.6 1.0
CA B:PHE306 4.5 21.0 1.0
CA B:GLY268 4.5 14.9 1.0
CG B:PRO270 4.6 15.0 1.0
N B:GLY232 4.7 16.8 1.0
C B:SER308 4.7 16.2 1.0
OE2 B:GLU256 4.9 17.9 1.0
N B:SER308 5.0 18.3 1.0
CD2 B:PHE306 5.0 21.2 1.0

Caesium binding site 3 out of 4 in 6vfd

Go back to Caesium Binding Sites List in 6vfd
Caesium binding site 3 out of 4 in the Tryptophan Synthase Mutant Q114A in Complex with Cesium Ion at the Metal Coordination Site and 2-Aminophenol Quinonoid at the Enzyme Beta Site


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of Tryptophan Synthase Mutant Q114A in Complex with Cesium Ion at the Metal Coordination Site and 2-Aminophenol Quinonoid at the Enzyme Beta Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs415

b:22.8
occ:0.15
CS B:CS415 0.0 22.8 0.1
CS B:CS415 2.5 21.0 0.8
OE2 B:GLU256 2.9 17.9 1.0
O B:VAL231 3.4 17.6 1.0
O B:SER308 3.5 15.9 1.0
O B:GLY268 3.6 16.0 1.0
CG1 B:VAL231 3.7 15.7 1.0
CD B:PRO270 3.7 14.7 1.0
O B:GLY232 3.8 19.6 1.0
CD B:GLU256 3.8 16.4 1.0
CG B:GLU256 3.8 15.7 1.0
CB B:VAL309 3.9 15.6 1.0
CG2 B:VAL309 4.0 15.0 1.0
CG B:PRO270 4.0 15.0 1.0
C B:VAL231 4.1 16.6 1.0
CB B:VAL231 4.3 15.6 1.0
CB B:GLU256 4.4 14.2 1.0
C B:GLY232 4.5 18.4 1.0
C B:SER308 4.5 16.2 1.0
CA B:VAL309 4.6 15.4 1.0
C B:GLY268 4.7 14.8 1.0
CD B:PRO257 4.8 13.4 1.0
N B:PRO270 4.8 15.3 1.0
N B:GLY232 4.8 16.8 1.0
CA B:GLY232 4.8 17.9 1.0
O B:PHE306 4.9 19.9 1.0
CA B:VAL231 4.9 15.4 1.0
CA B:GLU256 4.9 13.2 1.0
CA B:ALA269 4.9 14.9 1.0
CG1 B:VAL309 5.0 16.7 1.0
OE1 B:GLU256 5.0 17.7 1.0
N B:VAL309 5.0 15.9 1.0

Caesium binding site 4 out of 4 in 6vfd

Go back to Caesium Binding Sites List in 6vfd
Caesium binding site 4 out of 4 in the Tryptophan Synthase Mutant Q114A in Complex with Cesium Ion at the Metal Coordination Site and 2-Aminophenol Quinonoid at the Enzyme Beta Site


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 4 of Tryptophan Synthase Mutant Q114A in Complex with Cesium Ion at the Metal Coordination Site and 2-Aminophenol Quinonoid at the Enzyme Beta Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs416

b:18.4
occ:0.40
O B:PRO56 3.1 17.4 1.0
O B:GLY54 3.2 20.0 1.0
O B:DMS409 3.2 21.9 0.9
O B:HOH719 3.8 26.7 1.0
O B:HOH772 4.0 22.8 1.0
C1 B:DMS409 4.1 19.9 0.9
C B:PRO56 4.3 16.7 1.0
S B:DMS409 4.3 23.5 0.9
C B:GLY54 4.3 18.2 1.0
N B:PRO56 4.5 17.7 1.0
C B:ARG55 4.6 17.8 1.0
CD B:PRO56 4.7 19.9 1.0
O B:ARG55 4.8 18.1 1.0
C2 B:DMS409 4.9 20.3 0.9
CG B:PRO56 5.0 19.6 1.0

Reference:

E.Hilario, L.Fan, M.F.Dunn, L.J.Mueller. Tryptophan Synthase Mutant Q114A in Complex with Cesium Ion at the Metal Coordination Site and 2-Aminophenol Quinonoid at the Enzyme Beta Site. To Be Published.
Page generated: Sun Dec 13 10:57:17 2020

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