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Chlorine in PDB 6xe3: Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site.

Enzymatic activity of Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site.

All present enzymatic activity of Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site.:
4.2.1.20;

Protein crystallography data

The structure of Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site., PDB code: 6xe3 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) 38.95 / 1.55
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 181.517, 59.427, 67.063, 90, 94.64, 90
R / Rfree (%) 17.4 / 23.6

Other elements in 6xe3:

The structure of Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site. also contains other interesting chemical elements:

Caesium (Cs) 5 atoms
Fluorine (F) 3 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 15;

Binding sites:

The binding sites of Chlorine atom in the Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site. (pdb code 6xe3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 15 binding sites of Chlorine where determined in the Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site., PDB code: 6xe3:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 15 in 6xe3

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Chlorine binding site 1 out of 15 in the Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl307

b:82.3
occ:1.00
 OE1 A:GLU186 3.4 58.1 1.0
O A:HOH641 3.8 43.1 1.0
CD A:GLU186 4.0 55.7 1.0
CB A:ALA185 4.3 30.4 1.0
O A:ALA185 4.3 37.4 1.0
C A:ALA185 4.4 34.8 1.0
CG A:GLU186 4.5 53.2 1.0
OE2 A:GLU186 4.6 63.0 1.0
N A:GLU186 4.7 34.5 1.0
CA A:GLU186 4.7 40.7 1.0
CA A:ALA185 5.0 32.0 1.0

Chlorine binding site 2 out of 15 in 6xe3

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Chlorine binding site 2 out of 15 in the Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl413

b:62.1
occ:1.00
 O B:LYS37 3.5 21.1 1.0
C B:LYS37 3.7 19.7 1.0
O B:GLN36 3.8 20.8 1.0
CA B:LYS37 3.9 18.5 1.0
O B:HOH935 4.0 28.0 1.0
N B:ASP38 4.3 17.3 1.0
O B:HOH855 4.4 57.8 1.0
O2 B:EDO407 4.5 43.7 1.0
N B:PRO39 4.5 16.2 1.0
C2 B:EDO407 4.6 31.8 1.0
C B:GLN36 4.6 17.5 1.0
C B:ASP38 4.7 17.1 1.0
N B:LYS37 4.8 17.4 1.0
CD B:PRO39 4.8 20.3 1.0
CA B:PRO39 4.8 18.0 1.0
CG B:GLN42 5.0 15.4 1.0

Chlorine binding site 3 out of 15 in 6xe3

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Chlorine binding site 3 out of 15 in the Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl414

b:56.9
occ:1.00
 NH2 B:ARG150 3.7 33.3 1.0
CD1 B:PHE147 3.8 27.3 1.0
CB B:PHE147 4.0 19.6 1.0
CA B:PHE147 4.1 19.6 1.0
CG1 B:VAL146 4.1 24.2 1.0
CD B:ARG150 4.3 26.0 1.0
N B:PHE147 4.3 20.0 1.0
CG B:PHE147 4.4 23.7 1.0
C B:VAL146 4.7 21.0 1.0
O B:SER143 4.7 24.7 1.0
CB B:VAL146 4.8 23.2 1.0
CZ B:ARG150 4.8 29.2 1.0
CE1 B:PHE147 4.9 29.3 1.0
O B:VAL146 4.9 23.4 1.0

Chlorine binding site 4 out of 15 in 6xe3

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Chlorine binding site 4 out of 15 in the Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl415

b:40.9
occ:1.00
 O B:HOH821 2.5 32.7 1.0
O B:HOH631 2.7 34.1 1.0
O B:HOH857 2.8 44.1 1.0
N B:GLU369 3.0 13.1 1.0
CB B:GLU369 3.6 17.5 1.0
CA B:GLU369 3.8 13.9 1.0
CA B:LYS368 3.9 12.0 1.0
C B:LYS368 3.9 12.2 1.0
O B:GLU369 4.1 16.6 1.0
O B:GLU367 4.2 14.2 1.0
CG B:LYS368 4.5 13.1 1.0
C B:GLU369 4.5 14.1 1.0
CB B:LYS368 4.8 11.0 1.0
O B:HOH544 4.9 32.0 1.0

Chlorine binding site 5 out of 15 in 6xe3

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Chlorine binding site 5 out of 15 in the Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl416

b:41.9
occ:1.00
 O B:HOH570 2.4 24.6 1.0
N B:GLU11 2.9 13.9 0.2
N B:GLU11 3.0 13.3 0.4
N B:GLU11 3.0 13.7 0.3
OE1 B:GLU11 3.1 14.9 0.4
CB B:GLU11 3.5 13.8 0.2
CG B:GLU11 3.5 13.9 0.4
CB B:GLU11 3.6 14.0 0.4
CA B:GLY10 3.6 15.3 1.0
CE2 B:PHE12 3.7 10.9 1.0
CD B:GLU11 3.7 16.7 0.4
C B:GLY10 3.7 14.0 1.0
CA B:GLU11 3.8 13.4 0.2
CA B:GLU11 3.9 13.3 0.4
CB B:GLU11 3.9 14.8 0.3
CG B:GLU11 3.9 15.5 0.3
OG B:SER318 3.9 10.9 0.5
CA B:GLU11 4.0 13.9 0.3
CD2 B:PHE12 4.0 12.6 1.0
O B:HOH563 4.1 24.2 0.7
O B:HOH546 4.2 23.8 1.0
CD1 B:TYR315 4.2 12.1 1.0
OG B:SER318 4.3 12.2 0.5
O B:PHE9 4.4 11.3 1.0
CB B:SER318 4.6 10.2 0.5
CZ B:PHE12 4.6 12.4 1.0
CB B:SER318 4.6 10.6 0.5
CE1 B:TYR315 4.7 15.7 1.0
N B:GLY10 4.8 13.8 1.0
C B:GLU11 4.8 12.6 0.3
OE1 B:GLU11 4.8 16.8 0.2
N B:PHE12 4.8 12.4 1.0
C B:GLU11 4.8 12.0 0.4
C B:GLU11 4.8 12.0 0.2
CG B:GLU11 4.9 15.0 0.2
O B:GLY10 4.9 15.6 1.0
OE2 B:GLU11 5.0 18.2 0.4

Chlorine binding site 6 out of 15 in 6xe3

Go back to Chlorine Binding Sites List in 6xe3
Chlorine binding site 6 out of 15 in the Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl417

b:58.4
occ:1.00
 C B:LEU5 3.5 18.3 1.0
O B:LEU4 3.5 23.4 1.0
N B:ASN6 3.6 18.9 1.0
O B:LEU5 3.8 19.3 1.0
C B:LEU4 3.9 20.4 1.0
O B:THR3 3.9 22.3 1.0
CA B:LEU5 4.0 19.8 1.0
N B:LEU5 4.1 18.2 1.0
CA B:ASN6 4.1 17.8 1.0
OG1 B:THR3 4.4 21.0 1.0
C B:THR3 4.6 19.6 1.0
CB B:ASN6 4.7 19.9 1.0
CA B:LEU4 4.8 18.7 1.0
O B:HOH751 4.8 37.5 1.0
O B:HOH713 5.0 35.2 1.0

Chlorine binding site 7 out of 15 in 6xe3

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Chlorine binding site 7 out of 15 in the Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl418

b:66.4
occ:1.00
 O B:HOH891 3.4 43.2 1.0
O1 B:EDO404 4.4 36.5 1.0
O B:HOH951 4.5 25.3 1.0
O B:HOH529 4.6 20.5 1.0
O B:HOH852 4.6 18.9 1.0
O2 B:EDO404 4.8 41.7 1.0

Chlorine binding site 8 out of 15 in 6xe3

Go back to Chlorine Binding Sites List in 6xe3
Chlorine binding site 8 out of 15 in the Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl419

b:73.2
occ:1.00
 O B:HOH688 4.3 23.9 1.0
O B:HOH803 4.4 27.2 1.0
O B:HOH935 4.6 28.0 1.0
O B:HOH877 4.7 35.5 1.0

Chlorine binding site 9 out of 15 in 6xe3

Go back to Chlorine Binding Sites List in 6xe3
Chlorine binding site 9 out of 15 in the Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl420

b:73.2
occ:1.00
 O B:HOH968 4.4 33.3 1.0
O B:HOH847 4.5 32.8 1.0
O B:HOH609 4.7 18.1 1.0
O B:HOH576 4.8 45.0 1.0
O B:HOH867 4.9 35.9 1.0
O B:HOH936 4.9 21.2 1.0

Chlorine binding site 10 out of 15 in 6xe3

Go back to Chlorine Binding Sites List in 6xe3
Chlorine binding site 10 out of 15 in the Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta- Site. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl421

b:53.6
occ:1.00
 CA B:ARG321 3.6 10.5 1.0
O B:HOH755 3.7 38.9 1.0
CB B:ARG321 3.8 11.3 1.0
CD B:ARG321 3.8 11.8 1.0
N B:ARG321 3.9 10.5 1.0
O B:ILE319 4.1 12.5 1.0
C B:GLY320 4.1 10.7 1.0
O B:GLY320 4.1 13.8 1.0
CG B:ARG321 4.4 11.4 1.0
O B:HOH919 4.8 23.9 1.0
O B:HOH771 4.8 42.5 1.0
C B:ILE319 5.0 10.7 1.0
C B:ARG321 5.0 9.9 1.0

Reference:

E.Hilario, M.F.Dunn, L.J.Mueller, L.Fan. Salmonella Typhimurium Tryptophan Synthase Beta-S377A Mutant in Complex with Inhibitor F9 at the Enzyme Alpha-Site, Cesium Ion at the Metal Coordination Site and Carbanion III E(C3) at the Enzyme Beta-Site. To Be Published.
Page generated: Mon Jul 29 17:10:12 2024

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