Atomistry » Caesium » PDB 6dzo-7jmq » 6o1h
Atomistry »
  Caesium »
    PDB 6dzo-7jmq »
      6o1h »

Caesium in PDB 6o1h: Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site

Enzymatic activity of Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site

All present enzymatic activity of Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site:
4.2.1.20;

Protein crystallography data

The structure of Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site, PDB code: 6o1h 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) 39.31 / 1.64
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 183.749, 60.720, 67.210, 90.00, 94.63, 90.00
R / Rfree (%) 15.4 / 19.9

Other elements in 6o1h:

The structure of Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid 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 Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site (pdb code 6o1h). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 5 binding sites of Caesium where determined in the Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site, PDB code: 6o1h:
Jump to Caesium binding site number: 1; 2; 3; 4; 5;

Caesium binding site 1 out of 5 in 6o1h

Go back to Caesium Binding Sites List in 6o1h
Caesium binding site 1 out of 5 in the Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid 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 Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs405

b:61.3
occ:0.50
 O A:HOH647 3.1 47.9 1.0
O A:ALA167 3.1 39.1 1.0
O A:GLY170 3.2 35.0 1.0
O A:HOH633 3.3 35.0 0.5
O A:HIS204 3.6 40.5 1.0
N A:ALA206 4.0 34.1 1.0
C A:GLY170 4.3 33.1 1.0
C A:ALA167 4.4 36.8 1.0
O A:SER168 4.4 39.6 1.0
C A:ALA205 4.4 34.2 1.0
CD A:ARG171 4.5 36.7 1.0
CA A:ALA205 4.5 33.8 1.0
NH1 A:ARG171 4.6 40.7 1.0
C A:HIS204 4.7 37.7 1.0
CA A:ALA206 4.8 32.0 1.0
CB A:ALA206 4.9 32.4 1.0
C A:SER168 4.9 38.5 1.0
O A:HOH602 5.0 45.5 1.0

Caesium binding site 2 out of 5 in 6o1h

Go back to Caesium Binding Sites List in 6o1h
Caesium binding site 2 out of 5 in the Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid 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 Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs408

b:23.5
occ:0.62
 CS B:CS408 0.0 23.5 0.6
CS B:CS408 1.5 55.1 0.4
O B:THR71 3.0 21.1 1.0
O B:THR69 3.1 22.1 1.0
O B:THR66 3.2 23.9 1.0
OG1 B:THR66 3.2 23.5 1.0
O B:HOH593 3.3 39.3 1.0
O B:HOH845 3.7 43.7 1.0
O B:HOH607 3.9 55.1 1.0
CB B:THR66 3.9 21.7 1.0
C B:THR66 3.9 22.6 1.0
C B:THR71 4.1 20.4 1.0
C B:THR69 4.1 22.2 1.0
OG1 B:THR69 4.2 21.6 1.0
N B:THR71 4.4 20.5 1.0
N B:THR69 4.6 23.6 1.0
CA B:THR66 4.6 21.9 1.0
N B:ALA67 4.6 23.4 1.0
O B:HOH547 4.7 21.0 1.0
CA B:ALA67 4.7 24.5 1.0
O B:HOH803 4.8 44.2 0.5
C B:ARG70 4.9 21.5 1.0
CA B:THR69 4.9 22.0 1.0
CA B:ARG70 4.9 22.4 1.0
N B:ARG70 4.9 22.7 1.0
CA B:THR71 4.9 19.8 1.0
N B:THR72 4.9 19.6 1.0
N B:GLY68 5.0 27.3 1.0

Caesium binding site 3 out of 5 in 6o1h

Go back to Caesium Binding Sites List in 6o1h
Caesium binding site 3 out of 5 in the Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid 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 Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs408

b:55.1
occ:0.38
 CS B:CS408 0.0 55.1 0.4
CS B:CS408 1.5 23.5 0.6
O B:HOH845 3.4 43.7 1.0
O B:THR71 3.4 21.1 1.0
O B:THR69 3.5 22.1 1.0
OG1 B:THR72 4.1 22.2 1.0
O B:HOH593 4.1 39.3 1.0
O B:HOH803 4.2 44.2 0.5
C B:THR71 4.2 20.4 1.0
O B:HOH864 4.3 54.1 1.0
OG1 B:THR66 4.4 23.5 1.0
O B:HOH607 4.5 55.1 1.0
C B:THR69 4.6 22.2 1.0
N B:THR71 4.7 20.5 1.0
C B:ARG70 4.7 21.5 1.0
O B:THR66 4.7 23.9 1.0
CA B:ARG70 4.7 22.4 1.0
N B:THR72 4.7 19.6 1.0
CA B:THR72 4.8 20.1 1.0
O B:HOH656 5.0 29.1 1.0

Caesium binding site 4 out of 5 in 6o1h

Go back to Caesium Binding Sites List in 6o1h
Caesium binding site 4 out of 5 in the Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid 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 Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs409

b:28.9
occ:0.71
 CS B:CS409 0.0 28.9 0.7
CS B:CS409 2.2 27.8 0.3
O B:GLY232 2.8 23.9 1.0
O B:PHE306 2.9 21.3 1.0
O B:GLY268 3.0 20.9 1.0
O B:LEU304 3.4 21.0 1.0
O B:SER308 3.5 18.8 1.0
O B:VAL231 3.7 21.5 1.0
C B:GLY232 3.7 20.4 1.0
CA B:GLY232 3.9 19.7 1.0
C B:GLY268 4.0 19.1 1.0
C B:PHE306 4.0 19.2 1.0
CD B:PRO270 4.1 17.9 1.0
CD B:PRO257 4.2 17.4 1.0
CB B:PHE306 4.2 19.2 1.0
N B:PHE306 4.3 18.9 1.0
CA B:PHE306 4.4 18.9 1.0
CG B:PRO257 4.5 17.7 1.0
C B:LEU304 4.5 19.2 1.0
CA B:GLY268 4.5 18.3 1.0
C B:VAL231 4.5 19.2 1.0
CG B:PRO270 4.6 18.8 1.0
N B:GLY232 4.6 19.4 1.0
C B:SER308 4.7 17.4 1.0
OE2 B:GLU256 4.8 20.2 1.0
CD2 B:PHE306 4.9 18.8 1.0
N B:SER308 5.0 19.3 1.0

Caesium binding site 5 out of 5 in 6o1h

Go back to Caesium Binding Sites List in 6o1h
Caesium binding site 5 out of 5 in the Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid 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 Tryptophan Synthase Q114A Mutant in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid at the Enzyme Beta Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs409

b:27.8
occ:0.29
 CS B:CS409 0.0 27.8 0.3
CS B:CS409 2.2 28.9 0.7
OE2 B:GLU256 3.0 20.2 1.0
O B:VAL231 3.3 21.5 1.0
O B:GLY268 3.4 20.9 1.0
O B:GLY232 3.5 23.9 1.0
O B:SER308 3.5 18.8 1.0
CD B:PRO270 3.7 17.9 1.0
CD B:GLU256 3.9 19.4 1.0
CB B:VAL309 3.9 17.7 1.0
CG1 B:VAL231 3.9 19.8 1.0
CG B:GLU256 3.9 18.2 1.0
CG B:PRO270 4.0 18.8 1.0
C B:VAL231 4.0 19.2 1.0
CG2 B:VAL309 4.1 18.7 1.0
C B:GLY232 4.3 20.4 1.0
CB B:GLU256 4.4 17.0 1.0
CB B:VAL231 4.5 18.7 1.0
C B:GLY268 4.5 19.1 1.0
CA B:GLY232 4.5 19.7 1.0
C B:SER308 4.5 17.4 1.0
CA B:VAL309 4.6 17.7 1.0
N B:GLY232 4.6 19.4 1.0
CD B:PRO257 4.6 17.4 1.0
O B:PHE306 4.7 21.3 1.0
N B:PRO270 4.8 17.1 1.0
CA B:GLU256 4.9 16.6 1.0
CA B:ALA269 4.9 17.8 1.0
CA B:VAL231 4.9 18.7 1.0

Reference:

E.Hilario, M.F.Dunn, L.J.Mueller, L.Fan. Crystal Structure of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-Q114A with 2-({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and [3-Hydroxy-2-Methyl-5-Phosphonooxymethyl-Pyridin-4-Ylmethyl] -Serine (Pls) at the Beta-Site. To Be Published.
Page generated: Sun Jul 13 23:00:26 2025

Last articles

Zn in 9QM9
Zn in 9S44
Zn in 9OFE
Zn in 9OFC
Zn in 9OFD
Zn in 9OF1
Zn in 9OFB
Zn in 9N0J
Zn in 9M5X
Zn in 9LGI
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy