Chlorine in PDB 7k5a: The External Aldimine Form of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site.

Enzymatic activity of The External Aldimine Form of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site.

All present enzymatic activity of The External Aldimine Form of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site.:
4.2.1.20;

Protein crystallography data

The structure of The External Aldimine Form of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site., PDB code: 7k5a 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) 39.29 / 1.50
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 182.827, 59.527, 67.478, 90, 94.88, 90
R / Rfree (%) 16.8 / 22

Other elements in 7k5a:

The structure of The External Aldimine Form of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site. also contains other interesting chemical elements:

Caesium (Cs) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The External Aldimine Form of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site. (pdb code 7k5a). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the The External Aldimine Form of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site., PDB code: 7k5a:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 7k5a

Go back to Chlorine Binding Sites List in 7k5a
Chlorine binding site 1 out of 4 in the The External Aldimine Form of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The External Aldimine Form of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl305

b:52.9
occ:1.00
N A:THR94 3.0 26.0 1.0
N A:ILE95 3.0 25.9 1.0
OG1 A:THR94 3.1 32.0 1.0
O A:HOH500 3.2 52.0 1.0
C A:HIS92 3.4 24.5 1.0
N A:PRO93 3.6 25.0 1.0
CA A:HIS92 3.6 25.1 1.0
CB A:HIS92 3.6 25.5 1.0
CA A:THR94 3.7 27.7 1.0
CB A:ILE95 3.8 25.1 1.0
C A:THR94 3.8 27.5 1.0
O A:HIS92 3.8 25.2 1.0
CG2 A:ILE95 3.8 25.6 1.0
CD A:PRO93 3.9 25.7 1.0
CA A:ILE95 3.9 25.8 1.0
CB A:THR94 4.0 28.2 1.0
C A:PRO93 4.0 26.1 1.0
CA A:PRO93 4.3 27.1 1.0
CG A:PRO93 4.5 27.1 1.0
O A:HOH547 4.5 46.5 1.0
CG A:HIS92 4.6 26.2 1.0
ND1 A:HIS92 4.6 28.6 1.0
CG2 A:THR94 4.8 30.0 1.0
O A:THR94 4.9 27.4 1.0

Chlorine binding site 2 out of 4 in 7k5a

Go back to Chlorine Binding Sites List in 7k5a
Chlorine binding site 2 out of 4 in the The External Aldimine Form of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The External Aldimine Form of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl306

b:72.1
occ:1.00
O A:HOH532 3.6 46.6 1.0
CD2 A:LEU100 4.0 32.1 1.0
CD1 A:ILE153 4.1 30.7 1.0
O A:HOH428 4.3 43.8 1.0
CB A:ALA129 4.5 24.4 1.0
CG A:LEU100 4.6 28.2 1.0
O B:HOH930 4.6 43.8 1.0
O A:HOH403 4.7 38.8 1.0
O A:ALA59 4.8 54.9 1.0
CB A:ALA59 4.8 56.3 1.0

Chlorine binding site 3 out of 4 in 7k5a

Go back to Chlorine Binding Sites List in 7k5a
Chlorine binding site 3 out of 4 in the The External Aldimine Form of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The External Aldimine Form of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl411

b:36.1
occ:1.00
O B:HOH882 2.8 44.7 1.0
O B:ASP225 3.0 18.2 1.0
O B:SER249 3.0 23.9 1.0
O B:HOH635 3.4 30.6 1.0
O B:HOH843 3.6 47.9 1.0
C B:ASP225 4.0 17.2 1.0
N B:GLY251 4.0 15.6 1.0
O B:HOH768 4.1 43.1 1.0
C B:SER249 4.2 22.0 1.0
CA B:ASP225 4.2 16.6 1.0
O B:HOH927 4.3 51.4 1.0
CB B:ASP225 4.4 18.3 1.0
O B:HOH887 4.4 27.3 1.0
O B:HOH658 4.5 31.0 1.0
CA B:GLY251 4.6 16.2 1.0
C B:VAL250 4.8 16.8 1.0
OD1 B:ASP225 4.8 22.9 1.0
O B:HOH879 4.8 23.8 1.0
CA B:VAL250 4.9 17.9 1.0
O B:HOH817 4.9 35.8 1.0
N B:VAL250 5.0 19.8 1.0

Chlorine binding site 4 out of 4 in 7k5a

Go back to Chlorine Binding Sites List in 7k5a
Chlorine binding site 4 out of 4 in the The External Aldimine Form of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The External Aldimine Form of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl412

b:50.7
occ:1.00
O B:HOH869 2.9 52.2 1.0
OD2 B:ASP323 2.9 22.7 1.0
CG B:ASP323 3.8 17.8 1.0
OD1 B:ASP323 3.9 18.5 1.0
O B:HOH672 4.1 29.7 1.0
O B:HOH755 4.2 48.6 1.0
O B:HOH882 4.2 44.7 1.0
O B:HOH633 4.3 20.2 1.0
O B:HOH912 4.3 50.2 1.0
O B:HOH757 4.6 52.3 1.0
O B:HOH927 4.6 51.4 1.0
O B:GLY320 4.8 18.8 1.0
O B:HOH887 5.0 27.3 1.0

Reference:

E.Hilario, M.F.Dunn, L.J.Mueller. The External Aldimine Form of Salmonella Typhimurium Tryptophan Synthase Mutant Beta-Q114A in Complex with Cesium Ion at the Metal Coordination Site. To Be Published.
Page generated: Fri Sep 24 12:54:07 2021

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