Caesium in PDB 7lut: The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Cesium Ion at the Metal Coordination Site and the Product L-Tryptophan at the Enzyme Beta- Site at 1.60 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 and the Product L-Tryptophan at the Enzyme Beta- Site at 1.60 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 and the Product L-Tryptophan at the Enzyme Beta- Site at 1.60 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 and the Product L-Tryptophan at the Enzyme Beta- Site at 1.60 Angstrom Resolution, PDB code: 7lut
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)
|
32.28 /
1.60
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
182.412,
61.086,
67.063,
90,
94.86,
90
|
R / Rfree (%)
|
18.7 /
21.7
|
Other elements in 7lut:
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 and the Product L-Tryptophan at the Enzyme Beta- Site at 1.60 Angstrom Resolution also contains other interesting chemical elements:
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 and the Product L-Tryptophan at the Enzyme Beta- Site at 1.60 Angstrom Resolution
(pdb code 7lut). This binding sites where shown within
5.0 Angstroms radius around Caesium atom.
In total 7 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 and the Product L-Tryptophan at the Enzyme Beta- Site at 1.60 Angstrom Resolution, PDB code: 7lut:
Jump to Caesium binding site number:
1;
2;
3;
4;
5;
6;
7;
Caesium binding site 1 out
of 7 in 7lut
Go back to
Caesium Binding Sites List in 7lut
Caesium binding site 1 out
of 7 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Cesium Ion at the Metal Coordination Site and the Product L-Tryptophan at the Enzyme Beta- Site at 1.60 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 and the Product L-Tryptophan at the Enzyme Beta- Site at 1.60 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cs304
b:22.6
occ:0.60
|
O
|
A:HOH573
|
2.8
|
37.1
|
1.0
|
O
|
A:ALA167
|
3.0
|
16.2
|
1.0
|
O
|
A:GLY170
|
3.1
|
16.2
|
1.0
|
O
|
A:HIS204
|
3.4
|
19.2
|
1.0
|
O
|
A:HOH534
|
3.6
|
15.2
|
0.4
|
O
|
A:HOH461
|
3.9
|
37.0
|
1.0
|
N
|
A:ALA206
|
4.0
|
15.3
|
1.0
|
NH1
|
A:ARG171
|
4.1
|
19.8
|
1.0
|
C
|
A:ALA167
|
4.2
|
15.9
|
1.0
|
C
|
A:GLY170
|
4.2
|
13.9
|
1.0
|
O
|
A:HOH437
|
4.2
|
12.2
|
0.3
|
O
|
A:SER168
|
4.2
|
17.6
|
1.0
|
CD
|
A:ARG171
|
4.3
|
16.9
|
1.0
|
C
|
A:ALA205
|
4.4
|
15.9
|
1.0
|
CA
|
A:ALA205
|
4.4
|
16.0
|
1.0
|
O
|
A:HOH481
|
4.5
|
38.2
|
1.0
|
C
|
A:HIS204
|
4.5
|
19.4
|
1.0
|
C
|
A:SER168
|
4.7
|
17.1
|
1.0
|
CZ
|
A:ARG171
|
4.8
|
19.4
|
1.0
|
CA
|
A:ALA206
|
4.8
|
14.5
|
1.0
|
O
|
A:HOH619
|
4.9
|
42.9
|
1.0
|
NE
|
A:ARG171
|
4.9
|
18.9
|
1.0
|
CA
|
A:SER168
|
4.9
|
17.2
|
1.0
|
N
|
A:GLY170
|
4.9
|
14.5
|
1.0
|
CB
|
A:ALA206
|
5.0
|
14.2
|
1.0
|
N
|
A:ALA205
|
5.0
|
18.0
|
1.0
|
N
|
A:SER168
|
5.0
|
16.4
|
1.0
|
|
Caesium binding site 2 out
of 7 in 7lut
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Caesium Binding Sites List in 7lut
Caesium binding site 2 out
of 7 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Cesium Ion at the Metal Coordination Site and the Product L-Tryptophan at the Enzyme Beta- Site at 1.60 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 and the Product L-Tryptophan at the Enzyme Beta- Site at 1.60 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cs408
b:14.7
occ:0.92
|
O
|
B:THR71
|
3.0
|
11.3
|
1.0
|
O
|
B:HOH638
|
3.1
|
21.1
|
1.0
|
O
|
B:THR69
|
3.1
|
14.1
|
1.0
|
OG1
|
B:THR66
|
3.2
|
13.6
|
1.0
|
O
|
B:THR66
|
3.2
|
14.2
|
1.0
|
O
|
B:HOH556
|
3.4
|
24.5
|
1.0
|
O
|
B:HOH844
|
3.7
|
25.0
|
1.0
|
CB
|
B:THR66
|
3.8
|
13.0
|
1.0
|
C
|
B:THR66
|
3.9
|
14.1
|
1.0
|
C
|
B:THR69
|
4.1
|
13.5
|
1.0
|
C
|
B:THR71
|
4.1
|
10.8
|
1.0
|
OG1
|
B:THR69
|
4.2
|
12.6
|
1.0
|
N
|
B:THR69
|
4.5
|
15.2
|
1.0
|
N
|
B:THR71
|
4.5
|
11.0
|
1.0
|
CA
|
B:THR66
|
4.5
|
13.6
|
1.0
|
N
|
B:ALA67
|
4.6
|
14.6
|
1.0
|
CA
|
B:ALA67
|
4.6
|
15.8
|
1.0
|
O
|
B:HOH683
|
4.6
|
11.7
|
1.0
|
N
|
B:GLY68
|
4.8
|
17.5
|
1.0
|
CA
|
B:THR69
|
4.9
|
14.0
|
1.0
|
N
|
B:ARG70
|
4.9
|
13.5
|
1.0
|
C
|
B:ARG70
|
4.9
|
12.3
|
1.0
|
CA
|
B:ARG70
|
4.9
|
13.2
|
1.0
|
CA
|
B:THR71
|
5.0
|
11.1
|
1.0
|
N
|
B:THR72
|
5.0
|
10.8
|
1.0
|
C
|
B:ALA67
|
5.0
|
16.7
|
1.0
|
|
Caesium binding site 3 out
of 7 in 7lut
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Caesium Binding Sites List in 7lut
Caesium binding site 3 out
of 7 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Cesium Ion at the Metal Coordination Site and the Product L-Tryptophan at the Enzyme Beta- Site at 1.60 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 and the Product L-Tryptophan at the Enzyme Beta- Site at 1.60 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cs409
b:13.2
occ:0.83
|
CS
|
B:CS409
|
0.0
|
13.2
|
0.8
|
CS
|
B:CS409
|
2.5
|
26.9
|
0.2
|
O
|
B:GLY232
|
2.9
|
13.0
|
1.0
|
O
|
B:PHE306
|
2.9
|
12.8
|
1.0
|
O
|
B:GLY268
|
3.0
|
9.9
|
1.0
|
O
|
B:LEU304
|
3.3
|
11.3
|
1.0
|
O
|
B:SER308
|
3.3
|
11.6
|
1.0
|
C
|
B:GLY232
|
3.8
|
10.8
|
1.0
|
O
|
B:VAL231
|
3.9
|
10.2
|
1.0
|
C
|
B:PHE306
|
4.0
|
13.4
|
1.0
|
CA
|
B:GLY232
|
4.0
|
10.5
|
1.0
|
C
|
B:GLY268
|
4.0
|
10.1
|
1.0
|
CD
|
B:PRO270
|
4.1
|
11.1
|
1.0
|
N
|
B:PHE306
|
4.2
|
12.8
|
1.0
|
CB
|
B:PHE306
|
4.3
|
13.9
|
1.0
|
C
|
B:LEU304
|
4.4
|
11.2
|
1.0
|
CA
|
B:PHE306
|
4.5
|
13.5
|
1.0
|
CD
|
B:PRO257
|
4.5
|
8.8
|
1.0
|
CG
|
B:PRO270
|
4.5
|
11.6
|
1.0
|
CA
|
B:GLY268
|
4.5
|
10.5
|
1.0
|
C
|
B:SER308
|
4.5
|
11.8
|
1.0
|
CG
|
B:PRO257
|
4.6
|
9.0
|
1.0
|
C
|
B:VAL231
|
4.7
|
9.7
|
1.0
|
N
|
B:SER308
|
4.9
|
12.7
|
1.0
|
N
|
B:GLY232
|
4.9
|
10.0
|
1.0
|
OE2
|
B:GLU256
|
5.0
|
9.7
|
1.0
|
|
Caesium binding site 4 out
of 7 in 7lut
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Caesium Binding Sites List in 7lut
Caesium binding site 4 out
of 7 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Cesium Ion at the Metal Coordination Site and the Product L-Tryptophan at the Enzyme Beta- Site at 1.60 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 and the Product L-Tryptophan at the Enzyme Beta- Site at 1.60 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cs409
b:26.9
occ:0.17
|
CS
|
B:CS409
|
0.0
|
26.9
|
0.2
|
CS
|
B:CS409
|
2.5
|
13.2
|
0.8
|
OE2
|
B:GLU256
|
2.9
|
9.7
|
1.0
|
O
|
B:VAL231
|
3.2
|
10.2
|
1.0
|
O
|
B:GLY268
|
3.4
|
9.9
|
1.0
|
O
|
B:GLY232
|
3.6
|
13.0
|
1.0
|
CD
|
B:PRO270
|
3.7
|
11.1
|
1.0
|
CG1
|
B:VAL231
|
3.8
|
9.3
|
1.0
|
CD
|
B:GLU256
|
3.8
|
9.7
|
1.0
|
O
|
B:SER308
|
3.8
|
11.6
|
1.0
|
CG
|
B:GLU256
|
3.8
|
9.4
|
1.0
|
CB
|
B:VAL309
|
3.9
|
11.0
|
1.0
|
CG2
|
B:VAL309
|
4.0
|
10.9
|
1.0
|
CG
|
B:PRO270
|
4.0
|
11.6
|
1.0
|
C
|
B:VAL231
|
4.1
|
9.7
|
1.0
|
CB
|
B:GLU256
|
4.3
|
8.9
|
1.0
|
CB
|
B:VAL231
|
4.4
|
9.1
|
1.0
|
C
|
B:GLY232
|
4.4
|
10.8
|
1.0
|
C
|
B:GLY268
|
4.5
|
10.1
|
1.0
|
CD
|
B:PRO257
|
4.6
|
8.8
|
1.0
|
CA
|
B:GLY232
|
4.6
|
10.5
|
1.0
|
N
|
B:PRO270
|
4.7
|
10.8
|
1.0
|
C
|
B:SER308
|
4.7
|
11.8
|
1.0
|
CA
|
B:VAL309
|
4.8
|
10.8
|
1.0
|
CA
|
B:GLU256
|
4.8
|
8.6
|
1.0
|
N
|
B:GLY232
|
4.8
|
10.0
|
1.0
|
CA
|
B:ALA269
|
4.8
|
10.5
|
1.0
|
CA
|
B:VAL231
|
4.9
|
9.1
|
1.0
|
CG1
|
B:VAL309
|
5.0
|
11.1
|
1.0
|
|
Caesium binding site 5 out
of 7 in 7lut
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Caesium Binding Sites List in 7lut
Caesium binding site 5 out
of 7 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Cesium Ion at the Metal Coordination Site and the Product L-Tryptophan at the Enzyme Beta- Site at 1.60 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 and the Product L-Tryptophan at the Enzyme Beta- Site at 1.60 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cs413
b:40.8
occ:0.51
|
O
|
B:HOH833
|
2.5
|
19.5
|
0.4
|
O
|
B:HOH833
|
2.8
|
15.4
|
0.6
|
O
|
B:HOH687
|
3.0
|
21.6
|
1.0
|
O
|
B:HOH573
|
3.0
|
34.1
|
1.0
|
O
|
B:SER297
|
3.0
|
15.9
|
1.0
|
OD1
|
B:ASP305
|
3.2
|
17.0
|
1.0
|
O
|
B:HOH804
|
3.6
|
31.1
|
1.0
|
OD2
|
B:ASP305
|
3.6
|
17.7
|
1.0
|
CG
|
B:ASP305
|
3.7
|
16.1
|
1.0
|
O
|
B:HOH675
|
3.9
|
54.2
|
1.0
|
C
|
B:SER297
|
3.9
|
14.8
|
1.0
|
OG
|
B:SER297
|
4.0
|
16.2
|
1.0
|
N
|
B:SER297
|
4.1
|
16.7
|
1.0
|
CG2
|
B:THR165
|
4.2
|
23.1
|
1.0
|
OE2
|
B:GLU296
|
4.2
|
36.0
|
1.0
|
OG1
|
B:THR165
|
4.2
|
24.8
|
1.0
|
CA
|
B:SER297
|
4.5
|
15.5
|
1.0
|
O
|
B:HOH707
|
4.5
|
22.5
|
1.0
|
CD
|
B:GLU296
|
4.6
|
32.1
|
1.0
|
CB
|
B:THR165
|
4.8
|
23.2
|
1.0
|
CB
|
B:GLU296
|
4.8
|
22.2
|
1.0
|
C
|
B:GLU296
|
4.8
|
18.1
|
1.0
|
CA
|
B:GLU296
|
4.8
|
20.1
|
1.0
|
OE1
|
B:GLU296
|
4.9
|
31.1
|
1.0
|
CB
|
B:SER297
|
4.9
|
15.6
|
1.0
|
N
|
B:TYR298
|
5.0
|
13.6
|
1.0
|
O
|
B:ASP305
|
5.0
|
13.2
|
1.0
|
|
Caesium binding site 6 out
of 7 in 7lut
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Caesium Binding Sites List in 7lut
Caesium binding site 6 out
of 7 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Cesium Ion at the Metal Coordination Site and the Product L-Tryptophan at the Enzyme Beta- Site at 1.60 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 and the Product L-Tryptophan at the Enzyme Beta- Site at 1.60 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cs414
b:15.4
occ:0.34
|
O
|
B:PRO56
|
3.1
|
9.2
|
1.0
|
O
|
B:GLY54
|
3.2
|
11.6
|
1.0
|
C2
|
B:DMS402
|
3.5
|
22.6
|
1.0
|
O
|
B:HOH726
|
3.7
|
20.9
|
1.0
|
O
|
B:HOH691
|
4.0
|
15.5
|
1.0
|
O
|
B:DMS402
|
4.0
|
23.8
|
1.0
|
C
|
B:PRO56
|
4.3
|
9.2
|
1.0
|
C
|
B:GLY54
|
4.4
|
10.9
|
1.0
|
S
|
B:DMS402
|
4.4
|
25.2
|
1.0
|
N
|
B:PRO56
|
4.6
|
9.7
|
1.0
|
C
|
B:ARG55
|
4.7
|
9.6
|
1.0
|
C1
|
B:DMS402
|
4.8
|
22.6
|
1.0
|
CD
|
B:PRO56
|
4.8
|
10.0
|
1.0
|
O
|
B:ARG55
|
4.9
|
10.0
|
1.0
|
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Caesium binding site 7 out
of 7 in 7lut
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Caesium Binding Sites List in 7lut
Caesium binding site 7 out
of 7 in the The Internal Aldimine Form of the Wild-Type Salmonella Typhimurium Tryptophan Synthase in Complex with Cesium Ion at the Metal Coordination Site and the Product L-Tryptophan at the Enzyme Beta- Site at 1.60 Angstrom Resolution
Mono view
Stereo pair view
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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 and the Product L-Tryptophan at the Enzyme Beta- Site at 1.60 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cs415
b:21.9
occ:0.50
|
O
|
B:LYS99
|
3.0
|
15.3
|
1.0
|
O
|
B:HOH821
|
3.0
|
31.0
|
1.0
|
C
|
B:LYS99
|
3.9
|
14.6
|
1.0
|
CA
|
B:LYS99
|
4.6
|
14.5
|
1.0
|
CB
|
B:LYS99
|
4.7
|
16.4
|
1.0
|
CA
|
B:GLY102
|
4.8
|
17.2
|
1.0
|
N
|
B:ARG100
|
4.8
|
15.0
|
1.0
|
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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 and the Product L-Tryptophan at the Enzyme Beta-Site at 1.60 Angstrom Resolution. To Be Published.
Page generated: Tue Jul 30 21:17:04 2024
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