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Caesium in PDB 6xin: The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site.

Enzymatic activity of The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site.

All present enzymatic activity of The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site.:
4.2.1.20;

Protein crystallography data

The structure of The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site., PDB code: 6xin was solved by E.Hilario, C.Chang, L.J.Mueller, M.F.Dunn, L.Fan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 22.98 / 1.75
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 182.3, 59.48, 67.165, 90, 94.82, 90
R / Rfree (%) 16.5 / 20.4

Other elements in 6xin:

The structure of The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site. also contains other interesting chemical elements:

Chlorine (Cl) 16 atoms

Caesium Binding Sites:

The binding sites of Caesium atom in the The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site. (pdb code 6xin). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 3 binding sites of Caesium where determined in the The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site., PDB code: 6xin:
Jump to Caesium binding site number: 1; 2; 3;

Caesium binding site 1 out of 3 in 6xin

Go back to Caesium Binding Sites List in 6xin
Caesium binding site 1 out of 3 in the The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site.


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs434

b:30.7
occ:0.80
 CS B:CS434 0.0 30.7 0.8
CS B:CS434 2.2 22.9 0.2
O B:GLY232 2.9 17.3 0.8
O B:GLY268 2.9 14.5 1.0
O B:PHE306 2.9 26.5 1.0
O B:LEU304 3.4 16.7 0.7
O B:SER308 3.4 14.8 0.8
C B:GLY232 3.8 16.2 1.0
O B:VAL231 3.8 15.0 1.0
C B:PHE306 3.9 27.5 1.0
C B:GLY268 3.9 14.9 1.0
CD B:PRO270 4.0 14.9 1.0
CA B:GLY232 4.0 15.6 1.0
N B:PHE306 4.1 28.2 1.0
CA B:PHE306 4.3 29.3 1.0
CG B:PRO270 4.3 15.1 1.0
CD B:PRO257 4.4 13.3 1.0
CB B:PHE306 4.4 32.3 1.0
CA B:GLY268 4.5 15.5 1.0
C B:LEU304 4.5 19.4 1.0
C B:SER308 4.6 17.4 1.0
CG B:PRO257 4.6 13.6 1.0
C B:VAL231 4.6 14.6 1.0
OE2 B:GLU256 4.8 15.3 1.0
N B:GLY232 4.8 14.2 1.0
N B:SER308 4.9 20.0 1.0
CD2 B:PHE306 4.9 37.7 1.0

Caesium binding site 2 out of 3 in 6xin

Go back to Caesium Binding Sites List in 6xin
Caesium binding site 2 out of 3 in the The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site.


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs434

b:22.9
occ:0.20
 CS B:CS434 0.0 22.9 0.2
CS B:CS434 2.2 30.7 0.8
OE2 B:GLU256 3.0 15.3 1.0
O B:VAL231 3.2 15.0 1.0
O B:GLY232 3.3 17.3 0.8
O B:GLY268 3.4 14.5 1.0
O B:SER308 3.7 14.8 0.8
CD B:PRO270 3.7 14.9 1.0
CG1 B:VAL231 3.8 14.1 1.0
CD B:GLU256 3.9 14.5 1.0
CG B:GLU256 3.9 13.8 1.0
CG B:PRO270 4.0 15.1 1.0
C B:VAL231 4.0 14.6 1.0
CB B:VAL309 4.1 16.3 1.0
CG2 B:VAL309 4.1 17.1 1.0
C B:GLY232 4.2 16.2 1.0
CB B:GLU256 4.3 13.5 1.0
CA B:GLY232 4.4 15.6 1.0
CB B:VAL231 4.5 13.8 1.0
C B:GLY268 4.5 14.9 1.0
C B:SER308 4.6 17.4 1.0
CD B:PRO257 4.6 13.3 1.0
N B:GLY232 4.6 14.2 1.0
N B:PRO270 4.7 14.4 1.0
CA B:VAL309 4.7 16.1 1.0
O B:PHE306 4.8 26.5 1.0
CA B:GLU256 4.9 13.0 1.0
CA B:ALA269 4.9 14.5 1.0
CA B:VAL231 4.9 13.7 1.0

Caesium binding site 3 out of 3 in 6xin

Go back to Caesium Binding Sites List in 6xin
Caesium binding site 3 out of 3 in the The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site.


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2- Phenyldiazenylpropanamide at the Enzyme Alpha-Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cs435

b:24.4
occ:1.00
 O B:THR71 2.8 14.7 1.0
O B:HOH775 2.9 55.8 1.0
O B:HOH758 2.9 39.3 0.8
O B:HOH719 3.0 28.0 1.0
O B:THR69 3.1 19.2 1.0
OG1 B:THR66 3.2 17.5 1.0
O B:THR66 3.2 19.8 1.0
CB B:THR66 3.7 17.8 1.0
C B:THR66 3.9 19.4 1.0
O B:HOH776 3.9 33.2 1.0
C B:THR71 4.0 14.1 1.0
C B:THR69 4.1 17.9 1.0
OG1 B:THR69 4.3 16.4 1.0
N B:ALA67 4.5 20.1 1.0
CA B:THR66 4.5 18.6 1.0
N B:THR69 4.5 19.4 1.0
N B:THR71 4.5 14.0 1.0
CA B:ALA67 4.6 22.2 1.0
O B:HOH516 4.6 45.1 1.0
O B:HOH512 4.6 13.0 1.0
N B:GLY68 4.8 23.7 1.0
CA B:THR69 4.8 18.1 1.0
N B:THR72 4.9 14.5 1.0
N B:ARG70 4.9 17.5 1.0
CA B:THR71 4.9 13.9 1.0
CG2 B:THR66 4.9 16.7 1.0
C B:ALA67 5.0 21.5 1.0
C B:ARG70 5.0 16.5 1.0
CA B:ARG70 5.0 18.1 1.0

Reference:

E.Hilario, C.Chang, L.J.Mueller, M.F.Dunn, L.Fan. The Crystal Structure of Tryptophan Synthase From Salmonella Enterica Serovar Typhimurium in Complex with (2S)-3-Amino-3-Imino-2-Phenyldiazenylpropanamide at the Enzyme Alpha-Site. To Be Published.
Page generated: Sat Jul 10 13:31:15 2021

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