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Caesium in PDB 7lx1: The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Cesium Ion at the Metal Coordination Site at 1.61 Angstrom Resolution

Enzymatic activity of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Cesium Ion at the Metal Coordination Site at 1.61 Angstrom Resolution

All present enzymatic activity of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Cesium Ion at the Metal Coordination Site at 1.61 Angstrom Resolution:
4.2.1.20;

Protein crystallography data

The structure of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Cesium Ion at the Metal Coordination Site at 1.61 Angstrom Resolution, PDB code: 7lx1 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) 39.14 / 1.61
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 182.332, 58.379, 67.229, 90, 94.77, 90
R / Rfree (%) 20 / 23.4

Other elements in 7lx1:

The structure of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Cesium Ion at the Metal Coordination Site at 1.61 Angstrom Resolution also contains other interesting chemical elements:

Chlorine (Cl) 6 atoms

Caesium Binding Sites:

The binding sites of Caesium atom in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Cesium Ion at the Metal Coordination Site at 1.61 Angstrom Resolution (pdb code 7lx1). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 9 binding sites of Caesium where determined in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Cesium Ion at the Metal Coordination Site at 1.61 Angstrom Resolution, PDB code: 7lx1:
Jump to Caesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Caesium binding site 1 out of 9 in 7lx1

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Caesium binding site 1 out of 9 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Cesium Ion at the Metal Coordination Site at 1.61 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Cesium Ion at the Metal Coordination Site at 1.61 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs311

b:79.5
occ:0.50
 CS A:CS311 0.0 79.5 0.5
CS A:CS311 3.3 88.7 0.5
O A:PHE107 3.3 16.9 1.0
O B:HOH749 3.8 31.2 1.0
N A:GLY110 3.8 18.9 1.0
O A:ASN108 4.0 20.3 1.0
CA A:GLY110 4.0 17.8 1.0
O A:HOH527 4.1 21.6 1.0
CZ A:PHE107 4.2 17.1 1.0
CE2 A:PHE107 4.3 17.2 1.0
CE1 A:PHE107 4.4 16.7 1.0
O B:HOH883 4.4 34.2 1.0
C A:PHE107 4.5 16.4 1.0
CD2 A:PHE107 4.6 16.9 1.0
C A:ASN108 4.6 19.5 1.0
C A:ASN109 4.6 20.4 1.0
CD1 A:PHE107 4.7 16.2 1.0
CG A:PHE107 4.7 16.3 1.0

Caesium binding site 2 out of 9 in 7lx1

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Caesium binding site 2 out of 9 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Cesium Ion at the Metal Coordination Site at 1.61 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Cesium Ion at the Metal Coordination Site at 1.61 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs311

b:88.7
occ:0.50
 CS A:CS311 0.0 88.7 0.5
O B:HOH749 2.4 31.2 1.0
O A:ASN108 2.9 20.3 1.0
NH2 B:ARG275 3.1 24.2 1.0
O B:VAL276 3.2 13.4 1.0
CS A:CS311 3.3 79.5 0.5
O A:HOH470 3.5 16.5 1.0
C A:ASN108 3.8 19.5 1.0
CE2 A:PHE107 3.9 17.2 1.0
O A:PHE107 3.9 16.9 1.0
CA A:ASN108 4.0 18.9 1.0
CD2 A:PHE107 4.1 16.9 1.0
CG B:ARG275 4.3 20.1 1.0
CZ B:ARG275 4.4 23.2 1.0
C B:VAL276 4.4 13.5 1.0
OD1 A:ASN108 4.5 21.6 1.0
C A:PHE107 4.6 16.4 1.0
CD B:ARG275 4.7 21.0 1.0
CZ A:PHE107 4.7 17.1 1.0
N A:ASN108 4.7 16.9 1.0
O B:HOH883 4.8 34.2 1.0
NE2 B:GLN288 4.9 17.5 1.0
N A:ASN109 4.9 20.1 1.0
CG A:PHE107 5.0 16.3 1.0

Caesium binding site 3 out of 9 in 7lx1

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Caesium binding site 3 out of 9 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Cesium Ion at the Metal Coordination Site at 1.61 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Cesium Ion at the Metal Coordination Site at 1.61 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs312

b:27.3
occ:0.50
 CS A:CS312 0.0 27.3 0.5
CS A:CS312 2.5 114.8 0.5
O A:ALA265 3.0 23.0 1.0
OG A:SER221 3.2 22.6 0.1
OG A:SER221 3.2 23.8 0.3
O A:ARG267 3.4 36.8 1.0
O A:HOH545 3.4 39.5 1.0
CB A:SER221 3.8 23.0 0.1
CB A:SER221 3.8 22.9 0.3
CB A:SER221 3.9 22.9 0.6
C A:ALA265 4.0 22.3 1.0
O A:HOH512 4.1 25.7 1.0
C A:ARG267 4.5 36.9 1.0
CA A:SER221 4.5 22.2 0.3
CA A:SER221 4.5 22.4 0.1
CA A:SER221 4.5 22.2 0.6
CA A:ALA265 4.7 22.6 1.0
N A:ARG267 4.7 29.1 1.0
C A:SER266 4.7 25.7 1.0
N A:SER266 4.8 22.0 1.0
O A:HOH546 4.9 38.2 1.0

Caesium binding site 4 out of 9 in 7lx1

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Caesium binding site 4 out of 9 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Cesium Ion at the Metal Coordination Site at 1.61 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 4 of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Cesium Ion at the Metal Coordination Site at 1.61 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs312

b:114.8
occ:0.50
 CS A:CS312 0.0 114.8 0.5
O A:HOH546 2.4 38.2 1.0
CS A:CS312 2.5 27.3 0.5
O A:ARG267 3.0 36.8 1.0
O A:ALA264 3.3 23.6 1.0
O A:ALA265 3.6 23.0 1.0
C A:ALA265 3.8 22.3 1.0
CA A:ALA265 3.9 22.6 1.0
C A:ARG267 4.1 36.9 1.0
C A:ALA264 4.3 22.9 1.0
N A:ARG267 4.3 29.1 1.0
OG A:SER221 4.3 22.6 0.1
N A:ALA265 4.5 21.8 1.0
N A:SER266 4.6 22.0 1.0
CA A:ARG267 4.7 33.2 1.0
CB A:ARG267 4.9 33.4 1.0
C A:SER266 5.0 25.7 1.0

Caesium binding site 5 out of 9 in 7lx1

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Caesium binding site 5 out of 9 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Cesium Ion at the Metal Coordination Site at 1.61 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 5 of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Cesium Ion at the Metal Coordination Site at 1.61 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs408

b:10.3
occ:0.50
 CS B:CS408 0.0 10.3 0.5
CS B:CS408 1.5 57.4 0.5
O B:THR71 2.9 8.9 1.0
O B:THR69 3.1 11.9 1.0
O B:THR66 3.2 11.1 1.0
OG1 B:THR66 3.2 10.3 1.0
O B:HOH621 3.5 23.6 1.0
CB B:THR66 3.7 10.2 1.0
C B:THR66 3.8 11.2 1.0
O B:HOH809 3.8 23.2 1.0
C B:THR69 4.0 11.9 1.0
C B:THR71 4.1 8.6 1.0
OG1 B:THR69 4.2 11.2 1.0
N B:ALA67 4.4 11.5 1.0
CA B:THR66 4.4 10.6 1.0
N B:THR71 4.5 9.4 1.0
N B:THR69 4.5 12.6 1.0
O B:HOH659 4.5 44.0 1.0
CA B:ALA67 4.6 12.3 1.0
N B:GLY68 4.8 13.1 1.0
O B:HOH637 4.8 6.0 1.0
CA B:THR69 4.8 12.0 1.0
N B:ARG70 4.9 11.6 1.0
CA B:ARG70 4.9 11.5 1.0
C B:ARG70 4.9 10.3 1.0
CA B:THR71 4.9 8.8 1.0
N B:THR72 5.0 8.4 1.0
C B:ALA67 5.0 12.5 1.0
CG2 B:THR66 5.0 10.0 1.0

Caesium binding site 6 out of 9 in 7lx1

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Caesium binding site 6 out of 9 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Cesium Ion at the Metal Coordination Site at 1.61 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 6 of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Cesium Ion at the Metal Coordination Site at 1.61 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs408

b:57.4
occ:0.50
 CS B:CS408 0.0 57.4 0.5
CS B:CS408 1.5 10.3 0.5
O B:THR71 3.3 8.9 1.0
O B:THR69 3.3 11.9 1.0
O B:HOH659 3.6 44.0 1.0
O B:HOH809 3.7 23.2 1.0
OG1 B:THR72 4.1 8.7 1.0
C B:THR71 4.1 8.6 1.0
C B:THR69 4.4 11.9 1.0
OG1 B:THR66 4.4 10.3 1.0
O B:HOH621 4.5 23.6 1.0
N B:THR71 4.5 9.4 1.0
CA B:ARG70 4.6 11.5 1.0
C B:ARG70 4.6 10.3 1.0
O B:THR66 4.7 11.1 1.0
O B:HOH629 4.8 18.8 1.0
N B:THR72 4.8 8.4 1.0
CA B:THR72 4.9 8.3 1.0
N B:ARG70 5.0 11.6 1.0

Caesium binding site 7 out of 9 in 7lx1

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Caesium binding site 7 out of 9 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Cesium Ion at the Metal Coordination Site at 1.61 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 7 of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Cesium Ion at the Metal Coordination Site at 1.61 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs409

b:19.1
occ:0.42
 CS B:CS409 0.0 19.1 0.4
CS B:CS409 1.9 17.0 0.6
O B:GLY232 3.0 10.7 1.0
O B:GLY268 3.3 10.7 1.0
OE1 B:GLU256 3.3 8.5 1.0
O B:SER308 3.3 14.2 1.0
O B:VAL231 3.4 8.1 1.0
CD B:PRO270 3.7 10.9 1.0
C B:GLY232 4.0 9.5 1.0
CG1 B:VAL231 4.0 7.5 1.0
CG B:PRO270 4.0 11.0 1.0
C B:VAL231 4.1 7.7 1.0
CG B:GLU256 4.2 7.8 1.0
CD B:GLU256 4.2 8.2 1.0
CB B:VAL309 4.3 11.0 1.0
CA B:GLY232 4.3 9.0 1.0
O B:PHE306 4.3 28.4 1.0
C B:SER308 4.4 14.5 1.0
CG2 B:VAL309 4.4 10.7 1.0
C B:GLY268 4.4 10.9 1.0
CB B:GLU256 4.6 7.6 1.0
N B:GLY232 4.6 8.3 1.0
CD B:PRO257 4.6 8.0 1.0
CA B:VAL309 4.7 11.2 1.0
CB B:VAL231 4.7 7.4 1.0
N B:PRO270 4.8 10.7 1.0
CA B:ALA269 4.9 10.5 1.0

Caesium binding site 8 out of 9 in 7lx1

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Caesium binding site 8 out of 9 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Cesium Ion at the Metal Coordination Site at 1.61 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 8 of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Cesium Ion at the Metal Coordination Site at 1.61 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs409

b:17.0
occ:0.58
 CS B:CS409 0.0 17.0 0.6
CS B:CS409 1.9 19.1 0.4
O B:PHE306 2.9 28.4 1.0
O B:GLY268 3.0 10.7 1.0
O B:GLY232 3.2 10.7 1.0
O B:LEU304 3.3 17.4 1.0
O B:VAL231 3.7 8.1 1.0
O B:SER308 3.7 14.2 1.0
C B:GLY232 3.8 9.5 1.0
CA B:GLY232 3.9 9.0 1.0
C B:PHE306 4.0 28.5 1.0
C B:GLY268 4.0 10.9 1.0
CD B:PRO270 4.1 10.9 1.0
N B:PHE306 4.2 30.9 1.0
CD B:PRO257 4.2 8.0 1.0
C B:LEU304 4.4 18.8 1.0
CA B:PHE306 4.4 29.5 1.0
CG B:PRO257 4.4 8.2 1.0
CB B:PHE306 4.4 29.6 1.0
CA B:GLY268 4.5 11.4 1.0
C B:VAL231 4.5 7.7 1.0
CG B:PRO270 4.6 11.0 1.0
N B:GLY232 4.7 8.3 1.0
OE1 B:GLU256 4.9 8.5 1.0
C B:SER308 4.9 14.5 1.0

Caesium binding site 9 out of 9 in 7lx1

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Caesium binding site 9 out of 9 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Cesium Ion at the Metal Coordination Site at 1.61 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 9 of The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Cesium Ion at the Metal Coordination Site at 1.61 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs421

b:9.1
occ:0.50
 O B:PRO56 3.0 8.2 1.0
O B:GLY54 3.2 8.2 1.0
C2 B:DMS402 3.2 9.7 1.0
O B:HOH661 3.7 14.0 1.0
O B:DMS402 4.0 12.7 1.0
O B:HOH730 4.0 13.1 1.0
C B:PRO56 4.2 8.1 1.0
S B:DMS402 4.3 10.8 1.0
C B:GLY54 4.3 8.2 1.0
N B:PRO56 4.5 8.2 1.0
C B:ARG55 4.6 8.2 1.0
CD B:PRO56 4.7 8.5 1.0
O B:ARG55 4.9 8.4 1.0
CG B:PRO56 4.9 8.5 1.0
CA B:PRO56 5.0 8.1 1.0
C1 B:DMS402 5.0 9.6 1.0

Reference:

E.Hilario, M.F.Dunn, L.J.Mueller. The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Cesium Ion at the Metal Coordination Site at 1.61 Angstrom Resolution To Be Published.
Page generated: Tue Jul 30 21:18:57 2024

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