Atomistry » Caesium » PDB 4hul-6dwe » 6duc
Atomistry »
  Caesium »
    PDB 4hul-6dwe »
      6duc »

Caesium in PDB 6duc: Crystal Structure of Mutant Beta-K167T Tryptophan Synthase in Complex with Inhibitor N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1- Ethylphosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid (1D0) at the Beta-Site

Enzymatic activity of Crystal Structure of Mutant Beta-K167T Tryptophan Synthase in Complex with Inhibitor N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1- Ethylphosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid (1D0) at the Beta-Site

All present enzymatic activity of Crystal Structure of Mutant Beta-K167T Tryptophan Synthase in Complex with Inhibitor N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1- Ethylphosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid (1D0) at the Beta-Site:
4.2.1.20;

Protein crystallography data

The structure of Crystal Structure of Mutant Beta-K167T Tryptophan Synthase in Complex with Inhibitor N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1- Ethylphosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid (1D0) at the Beta-Site, PDB code: 6duc 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) 19.70 / 1.79
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 184.261, 60.044, 67.298, 90.00, 94.65, 90.00
R / Rfree (%) 18.5 / 23.2

Other elements in 6duc:

The structure of Crystal Structure of Mutant Beta-K167T Tryptophan Synthase in Complex with Inhibitor N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1- Ethylphosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid (1D0) at the Beta-Site also contains other interesting chemical elements:

Fluorine (F) 3 atoms
Chlorine (Cl) 11 atoms

Caesium Binding Sites:

The binding sites of Caesium atom in the Crystal Structure of Mutant Beta-K167T Tryptophan Synthase in Complex with Inhibitor N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1- Ethylphosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid (1D0) at the Beta-Site (pdb code 6duc). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 4 binding sites of Caesium where determined in the Crystal Structure of Mutant Beta-K167T Tryptophan Synthase in Complex with Inhibitor N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1- Ethylphosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid (1D0) at the Beta-Site, PDB code: 6duc:
Jump to Caesium binding site number: 1; 2; 3; 4;

Caesium binding site 1 out of 4 in 6duc

Go back to Caesium Binding Sites List in 6duc
Caesium binding site 1 out of 4 in the Crystal Structure of Mutant Beta-K167T Tryptophan Synthase in Complex with Inhibitor N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1- Ethylphosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid (1D0) at the Beta-Site


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of Crystal Structure of Mutant Beta-K167T Tryptophan Synthase in Complex with Inhibitor N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1- Ethylphosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid (1D0) at the Beta-Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs410

b:21.2
occ:0.86
 CS B:CS410 0.0 21.2 0.9
CS B:CS410 1.8 24.9 0.1
O B:GLY232 2.8 17.9 1.0
O B:GLY268 2.9 15.3 1.0
O B:PHE306 3.0 16.8 1.0
O B:SER308 3.4 15.5 1.0
O B:LEU304 3.4 16.7 1.0
O B:VAL231 3.6 19.4 1.0
C B:GLY232 3.8 23.3 1.0
C B:GLY268 4.0 18.7 1.0
CA B:GLY232 4.0 12.5 1.0
C B:PHE306 4.0 19.1 1.0
CD B:PRO270 4.2 13.4 1.0
CD B:PRO257 4.2 14.7 1.0
CB B:PHE306 4.2 22.1 1.0
N B:PHE306 4.3 16.2 1.0
CG B:PRO257 4.4 14.2 1.0
CA B:PHE306 4.4 18.4 1.0
C B:LEU304 4.5 13.5 1.0
C B:VAL231 4.5 18.2 1.0
CA B:GLY268 4.6 13.1 1.0
C B:SER308 4.6 17.2 1.0
CG B:PRO270 4.7 11.3 1.0
N B:GLY232 4.8 10.7 1.0
CD2 B:PHE306 4.8 21.6 1.0
N B:SER308 4.9 18.6 1.0
OE2 B:GLU256 5.0 17.0 1.0

Caesium binding site 2 out of 4 in 6duc

Go back to Caesium Binding Sites List in 6duc
Caesium binding site 2 out of 4 in the Crystal Structure of Mutant Beta-K167T Tryptophan Synthase in Complex with Inhibitor N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1- Ethylphosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid (1D0) at the Beta-Site


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of Crystal Structure of Mutant Beta-K167T Tryptophan Synthase in Complex with Inhibitor N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1- Ethylphosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid (1D0) at the Beta-Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs410

b:24.9
occ:0.14
 CS B:CS410 0.0 24.9 0.1
CS B:CS410 1.8 21.2 0.9
O B:SER308 3.1 15.5 1.0
O B:GLY232 3.2 17.9 1.0
O B:VAL231 3.2 19.4 1.0
O B:GLY268 3.4 15.3 1.0
OE2 B:GLU256 3.6 17.0 1.0
CD B:PRO270 3.8 13.4 1.0
C B:GLY232 4.0 23.3 1.0
CB B:VAL309 4.1 15.8 1.0
C B:VAL231 4.1 18.2 1.0
CG1 B:VAL231 4.1 17.2 1.0
CG B:PRO270 4.2 11.3 1.0
CG B:GLU256 4.2 15.2 1.0
C B:SER308 4.2 17.2 1.0
CG2 B:VAL309 4.3 15.8 1.0
O B:PHE306 4.3 16.8 1.0
CA B:GLY232 4.3 12.5 1.0
CD B:GLU256 4.4 24.1 1.0
C B:GLY268 4.5 18.7 1.0
CA B:VAL309 4.5 13.3 1.0
N B:GLY232 4.6 10.7 1.0
CD B:PRO257 4.6 14.7 1.0
CB B:VAL231 4.7 15.7 1.0
CB B:GLU256 4.8 11.9 1.0
N B:VAL309 4.8 14.0 1.0

Caesium binding site 3 out of 4 in 6duc

Go back to Caesium Binding Sites List in 6duc
Caesium binding site 3 out of 4 in the Crystal Structure of Mutant Beta-K167T Tryptophan Synthase in Complex with Inhibitor N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1- Ethylphosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid (1D0) at the Beta-Site


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of Crystal Structure of Mutant Beta-K167T Tryptophan Synthase in Complex with Inhibitor N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1- Ethylphosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid (1D0) at the Beta-Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs411

b:19.3
occ:0.58
 O B:THR71 3.0 14.7 1.0
O B:HOH702 3.0 30.9 1.0
O B:THR66 3.2 21.9 1.0
O B:THR69 3.2 20.3 1.0
OG1 B:THR66 3.2 16.8 1.0
O B:HOH779 3.4 46.8 1.0
O B:HOH776 3.6 52.9 1.0
O B:HOH732 3.9 41.9 1.0
CB B:THR66 3.9 18.2 1.0
C B:THR66 4.0 20.8 1.0
C B:THR71 4.1 14.0 1.0
C B:THR69 4.2 15.7 1.0
OG1 B:THR69 4.2 17.1 1.0
N B:THR71 4.4 14.6 1.0
CA B:THR66 4.6 15.9 1.0
N B:THR69 4.7 17.4 1.0
N B:ALA67 4.7 19.3 1.0
O B:HOH608 4.7 16.9 1.0
CA B:ALA67 4.8 16.1 1.0
C B:ARG70 4.8 13.7 1.0
CA B:ARG70 4.9 12.8 1.0
CA B:THR71 4.9 12.5 1.0
N B:THR72 4.9 16.0 1.0
N B:ARG70 4.9 7.8 1.0
CA B:THR69 4.9 13.2 1.0

Caesium binding site 4 out of 4 in 6duc

Go back to Caesium Binding Sites List in 6duc
Caesium binding site 4 out of 4 in the Crystal Structure of Mutant Beta-K167T Tryptophan Synthase in Complex with Inhibitor N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1- Ethylphosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid (1D0) at the Beta-Site


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 4 of Crystal Structure of Mutant Beta-K167T Tryptophan Synthase in Complex with Inhibitor N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1- Ethylphosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid (1D0) at the Beta-Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs412

b:24.7
occ:0.45
 O B:PRO56 2.9 14.5 1.0
O B:GLY54 3.2 18.6 1.0
C2 B:DMS405 3.4 25.0 1.0
O B:HOH676 3.6 32.1 1.0
O B:HOH720 4.0 21.1 1.0
O B:DMS405 4.1 32.4 1.0
C B:PRO56 4.2 15.6 1.0
C B:GLY54 4.3 14.5 1.0
S B:DMS405 4.4 33.0 1.0
N B:PRO56 4.6 19.8 1.0
C B:ARG55 4.6 18.1 1.0
O B:ARG55 4.8 15.4 1.0
CD B:PRO56 4.9 19.3 1.0
C1 B:DMS405 4.9 22.0 1.0

Reference:

E.Hilario, M.F.Dunn, L.J.Mueller, L.Fan. Tryptophan Synthase Q114A Mutant in Complex with Inhibitor N-(4'-Trifluoromethoxybenzenesulfonyl) -2-Amino-1-Ethylphosphate (F9F) at the Alpha-Site, Aminoacrylate (P1T) at the Beta Site, and Cesium Ion at the Metal Coordination Site. To Be Published.
Page generated: Tue Jul 30 20:52:08 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