Atomistry » Caesium » PDB 6dzo-7jmq » 6xe3
Atomistry »
  Caesium »
    PDB 6dzo-7jmq »
      6xe3 »

Caesium in PDB 6xe3: Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site.

Enzymatic activity of Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site.

All present enzymatic activity of Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site.:
4.2.1.20;

Protein crystallography data

The structure of Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site., PDB code: 6xe3 was solved by E.Hilario, M.F.Dunn, L.J.Mueller, L.Fan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.95 / 1.55
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 181.517, 59.427, 67.063, 90, 94.64, 90
R / Rfree (%) 17.4 / 23.6

Other elements in 6xe3:

The structure of Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site. also contains other interesting chemical elements:

Chlorine (Cl) 15 atoms
Fluorine (F) 3 atoms

Caesium Binding Sites:

The binding sites of Caesium atom in the Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site. (pdb code 6xe3). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 5 binding sites of Caesium where determined in the Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site., PDB code: 6xe3:
Jump to Caesium binding site number: 1; 2; 3; 4; 5;

Caesium binding site 1 out of 5 in 6xe3

Go back to Caesium Binding Sites List in 6xe3
Caesium binding site 1 out of 5 in the Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) 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 Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs306

b:34.1
occ:0.70
 O A:ALA167 2.9 30.7 1.0
O A:GLY170 3.1 24.1 1.0
O A:HOH626 3.3 60.6 1.0
O A:HIS204 3.4 28.1 1.0
O A:HOH639 3.5 35.3 1.0
O A:HOH408 3.6 15.8 0.5
O A:HOH556 3.8 55.1 1.0
N A:ALA206 3.8 20.8 1.0
O A:HOH471 4.0 48.5 1.0
C A:ALA167 4.1 26.4 1.0
O A:HOH566 4.2 45.2 1.0
C A:ALA205 4.2 21.4 1.0
O A:SER168 4.2 30.6 1.0
CA A:ALA205 4.3 22.1 1.0
C A:GLY170 4.3 21.9 1.0
C A:HIS204 4.4 26.9 1.0
NH2 A:ARG171 4.5 30.1 1.0
CD A:ARG171 4.7 28.2 1.0
CA A:ALA206 4.7 21.2 1.0
C A:SER168 4.7 27.5 1.0
CB A:ALA206 4.8 20.3 1.0
N A:ALA205 4.8 25.6 1.0
O A:ALA205 4.9 23.4 1.0
CA A:SER168 4.9 25.2 1.0

Caesium binding site 2 out of 5 in 6xe3

Go back to Caesium Binding Sites List in 6xe3
Caesium binding site 2 out of 5 in the Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) 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 Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs410

b:17.9
occ:0.70
 CS B:CS410 0.0 17.9 0.7
CS B:CS410 1.8 22.9 0.3
O B:GLY232 2.8 20.8 1.0
O B:PHE306 3.0 22.0 1.0
O B:GLY268 3.0 11.4 1.0
O B:LEU304 3.3 16.7 1.0
O B:SER308 3.5 13.6 1.0
O B:VAL231 3.7 13.6 1.0
C B:GLY232 3.8 17.1 1.0
C B:GLY268 4.0 10.9 1.0
C B:PHE306 4.0 22.3 1.0
CA B:GLY232 4.0 15.8 1.0
CD B:PRO270 4.1 11.8 1.0
N B:PHE306 4.3 19.5 1.0
CD B:PRO257 4.3 9.9 1.0
CB B:PHE306 4.4 20.6 1.0
C B:LEU304 4.4 13.8 1.0
CG B:PRO257 4.5 9.9 1.0
CA B:PHE306 4.5 21.6 1.0
CG B:PRO270 4.5 12.7 1.0
CA B:GLY268 4.5 12.4 1.0
C B:VAL231 4.5 13.4 1.0
C B:SER308 4.7 12.2 1.0
N B:GLY232 4.8 13.5 1.0
OE2 B:GLU256 4.8 14.4 1.0
CD2 B:PHE306 4.8 21.4 1.0
N B:SER308 5.0 16.4 1.0
N B:GLY233 5.0 13.6 1.0

Caesium binding site 3 out of 5 in 6xe3

Go back to Caesium Binding Sites List in 6xe3
Caesium binding site 3 out of 5 in the Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) 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 Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs410

b:22.9
occ:0.30
 CS B:CS410 0.0 22.9 0.3
CS B:CS410 1.8 17.9 0.7
O B:VAL231 3.1 13.6 1.0
O B:GLY232 3.2 20.8 1.0
OE2 B:GLU256 3.3 14.4 1.0
O B:GLY268 3.4 11.4 1.0
O B:SER308 3.4 13.6 1.0
CD B:PRO270 3.8 11.8 1.0
C B:VAL231 4.0 13.4 1.0
C B:GLY232 4.0 17.1 1.0
CG B:PRO270 4.1 12.7 1.0
CG1 B:VAL231 4.1 11.3 1.0
CB B:VAL309 4.2 12.1 1.0
CD B:GLU256 4.2 13.9 1.0
CG B:GLU256 4.3 12.8 1.0
CA B:GLY232 4.3 15.8 1.0
CG2 B:VAL309 4.4 12.5 1.0
O B:PHE306 4.4 22.0 1.0
C B:SER308 4.5 12.2 1.0
C B:GLY268 4.5 10.9 1.0
CD B:PRO257 4.5 9.9 1.0
N B:GLY232 4.5 13.5 1.0
CB B:GLU256 4.6 11.7 1.0
CB B:VAL231 4.6 11.9 1.0
CA B:VAL309 4.7 11.8 1.0
N B:PRO270 4.9 13.6 1.0
O B:LEU304 4.9 16.7 1.0
CA B:VAL231 5.0 11.3 1.0

Caesium binding site 4 out of 5 in 6xe3

Go back to Caesium Binding Sites List in 6xe3
Caesium binding site 4 out of 5 in the Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) 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 Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs411

b:17.4
occ:1.00
 O B:THR71 3.0 12.9 1.0
O B:THR69 3.0 15.4 1.0
O B:HOH643 3.0 24.7 1.0
O B:THR66 3.2 14.6 1.0
O B:HOH818 3.3 43.6 1.0
OG1 B:THR66 3.3 13.6 1.0
O B:HOH718 3.4 29.1 1.0
O B:HOH523 3.7 41.2 1.0
O B:HOH843 3.8 24.1 1.0
O B:HOH956 3.8 61.0 1.0
CB B:THR66 3.9 11.7 1.0
C B:THR66 3.9 13.7 1.0
C B:THR69 4.0 14.2 1.0
C B:THR71 4.1 11.7 1.0
OG1 B:THR69 4.3 13.1 1.0
N B:THR71 4.5 12.0 1.0
N B:ALA67 4.6 15.8 1.0
CA B:THR66 4.6 12.3 1.0
N B:THR69 4.6 17.1 1.0
CA B:ALA67 4.6 17.1 1.0
CA B:THR69 4.8 13.4 1.0
N B:ARG70 4.8 13.8 0.6
N B:ARG70 4.8 13.8 0.4
C B:ARG70 4.9 11.0 0.6
CA B:ARG70 4.9 12.3 0.4
C B:ARG70 4.9 11.5 0.4
CA B:ARG70 4.9 12.1 0.6
N B:THR72 4.9 10.8 1.0
N B:GLY68 4.9 21.3 1.0
CA B:THR71 4.9 11.8 1.0
OG1 B:THR72 5.0 15.9 1.0

Caesium binding site 5 out of 5 in 6xe3

Go back to Caesium Binding Sites List in 6xe3
Caesium binding site 5 out of 5 in the Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) 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 5 of Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs412

b:26.3
occ:0.60
 O B:SER249 3.0 19.8 1.0
O B:ASP225 3.1 13.4 1.0
O B:HOH592 3.2 24.4 1.0
O2 B:EDO405 3.3 50.2 1.0
O1 B:EDO405 3.8 39.5 1.0
N B:GLY251 4.0 10.5 1.0
C B:ASP225 4.1 11.6 1.0
C B:SER249 4.2 18.1 1.0
O B:HOH912 4.3 25.6 1.0
CA B:ASP225 4.4 11.7 1.0
C2 B:EDO405 4.4 48.8 1.0
O B:HOH669 4.4 35.8 1.0
O B:HOH914 4.5 33.6 1.0
CB B:ASP225 4.5 12.9 1.0
C1 B:EDO405 4.6 45.6 1.0
CA B:GLY251 4.6 11.2 1.0
C B:VAL250 4.8 11.4 1.0
OD1 B:ASP225 4.8 17.6 1.0
CA B:VAL250 4.9 12.7 1.0
N B:VAL250 5.0 15.1 1.0

Reference:

E.Hilario, M.F.Dunn, L.J.Mueller, L.Fan. Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta-Site. To Be Published.
Page generated: Tue Jul 30 21:01:35 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy