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

Caesium in PDB 7jll: The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site and L-Tryptophan at the Enzyme Beta-Site

Enzymatic activity of The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site and L-Tryptophan at the Enzyme Beta-Site

All present enzymatic activity of The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site and L-Tryptophan at the Enzyme Beta-Site:
4.2.1.20;

Protein crystallography data

The structure of The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site and L-Tryptophan at the Enzyme Beta-Site, PDB code: 7jll 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) 38.88 / 1.55
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 181.41, 58.57, 67.19, 90, 94.36, 90
R / Rfree (%) 18.5 / 21.5

Other elements in 7jll:

The structure of The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site and L-Tryptophan at the Enzyme Beta-Site also contains other interesting chemical elements:

Fluorine (F) 3 atoms
Chlorine (Cl) 24 atoms

Caesium Binding Sites:

The binding sites of Caesium atom in the The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site and L-Tryptophan at the Enzyme Beta-Site (pdb code 7jll). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 4 binding sites of Caesium where determined in the The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site and L-Tryptophan at the Enzyme Beta-Site, PDB code: 7jll:
Jump to Caesium binding site number: 1; 2; 3; 4;

Caesium binding site 1 out of 4 in 7jll

Go back to Caesium Binding Sites List in 7jll
Caesium binding site 1 out of 4 in the The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site and L-Tryptophan 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 The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site and L-Tryptophan at the Enzyme Beta-Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs308

b:37.2
occ:0.50
 O A:ALA167 3.1 23.6 1.0
O A:HOH667 3.1 47.9 1.0
O A:GLY170 3.2 23.2 1.0
O A:HIS204 3.5 21.2 1.0
O A:HOH623 3.7 55.7 1.0
N A:ALA206 3.9 18.9 1.0
O A:HOH411 4.1 18.0 0.5
C A:ALA205 4.3 20.0 1.0
C A:GLY170 4.3 21.7 1.0
C A:ALA167 4.3 25.1 1.0
CA A:ALA205 4.3 20.0 1.0
NH2 A:ARG171 4.5 24.9 1.0
CD A:ARG171 4.5 24.0 1.0
C A:HIS204 4.5 22.1 1.0
O A:SER168 4.6 23.8 1.0
CA A:ALA206 4.7 18.1 1.0
CB A:ALA206 4.9 18.0 1.0
N A:ALA205 4.9 22.1 1.0
C A:SER168 4.9 23.9 1.0
O A:ALA205 5.0 20.0 1.0

Caesium binding site 2 out of 4 in 7jll

Go back to Caesium Binding Sites List in 7jll
Caesium binding site 2 out of 4 in the The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site and L-Tryptophan 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 The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site and L-Tryptophan at the Enzyme Beta-Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs420

b:21.6
occ:0.80
 O B:THR71 2.9 16.5 1.0
O B:THR66 2.9 19.1 1.0
O B:THR69 2.9 19.1 1.0
OG1 B:THR66 3.0 18.2 1.0
O B:HOH781 3.0 53.9 1.0
O B:HOH579 3.3 22.9 0.5
O B:HOH528 3.3 32.7 1.0
C B:THR66 3.7 18.2 1.0
CB B:THR66 3.8 17.4 1.0
O B:HOH831 3.8 27.6 1.0
C B:THR69 4.0 17.2 1.0
C B:THR71 4.0 13.8 1.0
O B:HOH579 4.2 32.0 0.5
OG1 B:THR69 4.2 13.9 1.0
N B:THR71 4.5 13.3 1.0
N B:ALA67 4.5 19.1 1.0
N B:THR69 4.5 19.8 1.0
CA B:THR66 4.5 16.8 1.0
CA B:ALA67 4.5 19.2 1.0
N B:GLY68 4.7 22.5 1.0
O B:HOH664 4.7 14.0 1.0
CA B:THR69 4.8 16.9 1.0
N B:ARG70 4.8 15.4 1.0
CA B:THR71 4.9 14.3 1.0
C B:ARG70 4.9 14.3 1.0
CA B:ARG70 4.9 16.1 1.0
N B:THR72 4.9 13.1 1.0
C B:ALA67 4.9 19.9 1.0
CG2 B:THR66 5.0 15.6 1.0

Caesium binding site 3 out of 4 in 7jll

Go back to Caesium Binding Sites List in 7jll
Caesium binding site 3 out of 4 in the The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site and L-Tryptophan 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 The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site and L-Tryptophan at the Enzyme Beta-Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs421

b:14.6
occ:0.60
 CS B:CS421 0.0 14.6 0.6
CS B:CS421 1.9 29.4 0.4
O B:GLY232 2.9 22.8 1.0
O B:PHE306 3.0 26.4 1.0
O B:GLY268 3.1 15.2 1.0
O B:SER308 3.3 14.1 1.0
O B:LEU304 3.5 21.4 1.0
C B:GLY232 3.9 17.3 1.0
CD B:PRO270 3.9 12.8 1.0
O B:VAL231 3.9 13.3 1.0
C B:PHE306 4.0 25.1 1.0
C B:GLY268 4.1 13.7 1.0
CA B:GLY232 4.2 15.2 1.0
N B:PHE306 4.3 24.4 1.0
CG B:PRO270 4.3 12.8 1.0
CB B:PHE306 4.4 24.1 1.0
CA B:PHE306 4.5 23.8 1.0
C B:SER308 4.5 14.6 1.0
C B:LEU304 4.6 21.6 1.0
CA B:GLY268 4.6 14.1 1.0
CD B:PRO257 4.7 13.9 1.0
CG B:PRO257 4.8 14.3 1.0
C B:VAL231 4.8 13.2 1.0
N B:SER308 4.8 16.7 1.0
N B:GLY232 4.9 13.8 1.0
CD2 B:PHE306 5.0 23.9 1.0
OE1 B:GLU256 5.0 13.2 1.0
O B:HOH512 5.0 36.6 1.0

Caesium binding site 4 out of 4 in 7jll

Go back to Caesium Binding Sites List in 7jll
Caesium binding site 4 out of 4 in the The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site and L-Tryptophan 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 The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2- ({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site and L-Tryptophan at the Enzyme Beta-Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs421

b:29.4
occ:0.40
 CS B:CS421 0.0 29.4 0.4
CS B:CS421 1.9 14.6 0.6
O B:VAL231 3.1 13.3 1.0
O B:GLY232 3.2 22.8 1.0
O B:GLY268 3.4 15.2 1.0
OE1 B:GLU256 3.4 13.2 1.0
O B:SER308 3.5 14.1 1.0
CD B:PRO270 3.6 12.8 1.0
CG B:PRO270 3.9 12.8 1.0
C B:VAL231 4.0 13.2 1.0
C B:GLY232 4.0 17.3 1.0
CB B:VAL309 4.1 14.0 1.0
CG1 B:VAL231 4.2 12.8 1.0
CA B:GLY232 4.3 15.2 1.0
CD B:GLU256 4.4 13.6 1.0
CG2 B:VAL309 4.4 14.4 1.0
CG B:GLU256 4.5 13.9 1.0
C B:SER308 4.5 14.6 1.0
C B:GLY268 4.5 13.7 1.0
N B:GLY232 4.5 13.8 1.0
CD B:PRO257 4.6 13.9 1.0
O B:PHE306 4.6 26.4 1.0
CA B:VAL309 4.7 14.0 1.0
CB B:VAL231 4.7 12.6 1.0
CB B:GLU256 4.7 12.6 1.0
N B:PRO270 4.8 13.1 1.0
O B:LEU304 5.0 21.4 1.0

Reference:

E.Hilario, L.J.Mueller, M.F.Dunn. The Internal Aldimine Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-S377A in Complex with Inhibitor 2-({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site and L-Tryptophan at the Enzyme Beta-Site. To Be Published.
Page generated: Tue Jul 30 21:07:42 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