Chlorine in PDB 7kmc: The Internal Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.50 Angstrom Resolution with Cesium Ion at the Metal Coordination Site

Enzymatic activity of The Internal Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.50 Angstrom Resolution with Cesium Ion at the Metal Coordination Site

All present enzymatic activity of The Internal Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.50 Angstrom Resolution with Cesium Ion at the Metal Coordination Site:
4.2.1.20;

Protein crystallography data

The structure of The Internal Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.50 Angstrom Resolution with Cesium Ion at the Metal Coordination Site, PDB code: 7kmc 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) 39.10 / 1.50
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 182.62, 59.23, 67.15, 90, 94.52, 90
R / Rfree (%) 15.3 / 19.6

Other elements in 7kmc:

The structure of The Internal Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.50 Angstrom Resolution with Cesium Ion at the Metal Coordination Site also contains other interesting chemical elements:

Caesium (Cs) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Internal Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.50 Angstrom Resolution with Cesium Ion at the Metal Coordination Site (pdb code 7kmc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the The Internal Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.50 Angstrom Resolution with Cesium Ion at the Metal Coordination Site, PDB code: 7kmc:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 7kmc

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Chlorine binding site 1 out of 7 in the The Internal Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.50 Angstrom Resolution 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 Internal Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.50 Angstrom Resolution with Cesium Ion at the Metal Coordination Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:49.6
occ:1.00
 N A:SER235 3.1 26.1 1.0
CA A:GLY234 3.2 24.4 1.0
OG A:SER235 3.3 37.6 1.0
C A:GLY234 3.3 27.3 1.0
O A:HOH460 3.3 19.6 1.0
O A:HOH513 3.4 22.9 1.0
N A:GLY234 3.4 22.3 1.0
O A:HOH559 3.7 48.8 1.0
CB A:SER235 3.8 30.5 1.0
O A:HOH609 4.0 48.2 1.0
CA A:SER235 4.0 26.4 1.0
O A:GLY234 4.1 26.4 1.0
O A:GLY211 4.4 24.2 1.0
CA A:GLY213 4.4 35.5 1.0
N A:GLY213 4.5 33.6 1.0
C A:SER233 4.6 22.3 0.6
C A:SER233 4.7 20.1 0.4
N A:ILE214 4.9 23.4 1.0

Chlorine binding site 2 out of 7 in 7kmc

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Chlorine binding site 2 out of 7 in the The Internal Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.50 Angstrom Resolution 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 Internal Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.50 Angstrom Resolution with Cesium Ion at the Metal Coordination Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl305

b:26.5
occ:1.00
 O A:GLY170 3.1 22.7 1.0
O A:ALA167 3.1 22.2 1.0
O A:HOH562 3.2 48.7 0.7
O A:HOH486 3.3 35.2 1.0
O A:HIS204 3.5 23.6 1.0
N A:ALA206 4.0 18.3 1.0
O A:HOH526 4.1 37.4 0.6
NH2 A:ARG171 4.1 35.0 1.0
C A:GLY170 4.3 18.2 1.0
CD A:ARG171 4.3 24.7 1.0
C A:ALA205 4.3 18.1 1.0
C A:ALA167 4.3 19.6 1.0
O A:SER168 4.3 24.8 1.0
CA A:ALA205 4.4 17.7 1.0
O A:HOH566 4.4 53.0 1.0
C A:HIS204 4.5 23.4 1.0
CZ A:ARG171 4.7 32.8 1.0
NE A:ARG171 4.7 30.1 1.0
CA A:ALA206 4.7 16.9 1.0
C A:SER168 4.8 19.8 1.0
CB A:ALA206 4.9 18.6 1.0
N A:ALA205 4.9 22.3 1.0
CA A:ARG171 5.0 16.0 1.0

Chlorine binding site 3 out of 7 in 7kmc

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Chlorine binding site 3 out of 7 in the The Internal Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.50 Angstrom Resolution 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 Internal Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.50 Angstrom Resolution with Cesium Ion at the Metal Coordination Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl410

b:42.6
occ:1.00
 C B:LEU5 3.4 16.4 1.0
O B:LEU4 3.5 19.5 1.0
N B:ASN6 3.6 16.2 1.0
O B:HOH635 3.7 43.2 1.0
O B:LEU5 3.7 17.2 1.0
C B:LEU4 3.8 16.2 1.0
CA B:LEU5 3.8 15.0 1.0
N B:LEU5 3.9 16.2 1.0
O B:THR3 4.0 18.7 1.0
CA B:ASN6 4.1 17.1 1.0
OG1 B:THR3 4.4 19.4 1.0
C B:THR3 4.7 17.2 1.0
CB B:ASN6 4.7 17.3 1.0
CA B:LEU4 4.8 16.5 1.0
O B:HOH729 4.9 30.6 1.0

Chlorine binding site 4 out of 7 in 7kmc

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Chlorine binding site 4 out of 7 in the The Internal Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.50 Angstrom Resolution 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 Internal Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.50 Angstrom Resolution with Cesium Ion at the Metal Coordination Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl411

b:59.8
occ:1.00
 O B:GLY127 3.9 23.8 1.0
C B:LEU128 3.9 14.4 1.0
O B:LEU128 3.9 15.3 1.0
N B:LYS129 4.0 14.7 1.0
CD B:LYS129 4.1 34.6 1.0
CA B:LYS129 4.1 16.9 1.0
O B:HOH650 4.1 45.2 1.0
C B:GLY127 4.2 18.2 1.0
CB B:LYS129 4.3 19.8 1.0
N B:LEU128 4.5 15.7 1.0
O B:HOH685 4.6 18.9 1.0
O B:HOH699 4.6 23.2 1.0
CA B:LEU128 4.7 13.8 1.0
CG B:LYS129 4.8 28.4 1.0
O B:HOH615 4.8 19.1 1.0
CA B:GLY127 4.9 17.7 1.0

Chlorine binding site 5 out of 7 in 7kmc

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Chlorine binding site 5 out of 7 in the The Internal Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.50 Angstrom Resolution 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 5 of The Internal Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.50 Angstrom Resolution with Cesium Ion at the Metal Coordination Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl412

b:69.6
occ:1.00
 O B:LYS37 3.5 21.6 1.0
C B:LYS37 3.6 18.9 1.0
O B:GLN36 3.6 18.4 1.0
O B:HOH920 3.9 29.9 1.0
CA B:LYS37 4.0 18.4 1.0
N B:ASP38 4.2 14.4 1.0
N B:PRO39 4.3 16.8 1.0
CD B:PRO39 4.4 17.8 1.0
C B:ASP38 4.5 15.7 1.0
CG B:PRO39 4.5 21.8 1.0
O B:HOH923 4.5 40.2 1.0
C B:GLN36 4.5 15.0 1.0
CA B:PRO39 4.6 17.0 1.0
CG B:GLN42 4.7 14.6 1.0
N B:LYS37 4.7 17.4 1.0
O B:HOH925 4.8 51.1 1.0
CA B:ASP38 4.9 15.7 1.0
O B:ASP38 4.9 15.3 1.0
O B:HOH818 5.0 19.8 0.5

Chlorine binding site 6 out of 7 in 7kmc

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Chlorine binding site 6 out of 7 in the The Internal Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.50 Angstrom Resolution 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 6 of The Internal Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.50 Angstrom Resolution with Cesium Ion at the Metal Coordination Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl413

b:68.3
occ:1.00
 O B:HOH835 3.9 22.9 1.0
O B:HOH576 4.2 20.3 1.0
O B:HOH883 4.3 26.7 1.0
O B:HOH922 4.5 33.6 1.0
O B:HOH953 4.6 36.5 1.0
O B:HOH920 4.7 29.9 1.0
O B:HOH777 4.8 47.4 1.0
O B:HOH952 4.8 40.2 1.0

Chlorine binding site 7 out of 7 in 7kmc

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Chlorine binding site 7 out of 7 in the The Internal Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.50 Angstrom Resolution 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 7 of The Internal Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.50 Angstrom Resolution with Cesium Ion at the Metal Coordination Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl414

b:72.0
occ:1.00
 O B:HOH936 4.1 54.6 1.0
O B:HOH879 4.2 28.4 1.0
O B:HOH534 4.2 22.5 1.0
O B:HOH878 4.2 47.1 1.0
O B:HOH842 4.3 18.4 1.0
O B:HOH656 4.3 16.2 1.0
O B:HOH930 4.6 23.6 1.0
O B:HOH942 4.7 28.1 1.0

Reference:

E.Hilario, M.F.Dunn, L.J.Mueller. The Internal Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.50 Angstrom Resolution with Cesium Ion at the Metal Coordination Site To Be Published.
Page generated: Fri Nov 5 12:26:53 2021

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