Chlorine in PDB 7kh6: 1.45 Angstrom Resolution Internal Aldimine Crystal Structure of the Beta-Q114A Mutant of Tryptophansynthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site

Enzymatic activity of 1.45 Angstrom Resolution Internal Aldimine Crystal Structure of the Beta-Q114A Mutant of Tryptophansynthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site

All present enzymatic activity of 1.45 Angstrom Resolution Internal Aldimine Crystal Structure of the Beta-Q114A Mutant of Tryptophansynthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site:
4.2.1.20;

Protein crystallography data

The structure of 1.45 Angstrom Resolution Internal Aldimine Crystal Structure of the Beta-Q114A Mutant of Tryptophansynthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site, PDB code: 7kh6 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) 36.81 / 1.45
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 182.516, 58.931, 67.555, 90, 94.88, 90
R / Rfree (%) 15.8 / 20.1

Other elements in 7kh6:

The structure of 1.45 Angstrom Resolution Internal Aldimine Crystal Structure of the Beta-Q114A Mutant of Tryptophansynthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site also contains other interesting chemical elements:

Fluorine (F) 3 atoms
Caesium (Cs) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 1.45 Angstrom Resolution Internal Aldimine Crystal Structure of the Beta-Q114A Mutant of Tryptophansynthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site (pdb code 7kh6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the 1.45 Angstrom Resolution Internal Aldimine Crystal Structure of the Beta-Q114A Mutant of Tryptophansynthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site, PDB code: 7kh6:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 7kh6

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Chlorine binding site 1 out of 3 in the 1.45 Angstrom Resolution Internal Aldimine Crystal Structure of the Beta-Q114A Mutant of Tryptophansynthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and 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 1.45 Angstrom Resolution Internal Aldimine Crystal Structure of the Beta-Q114A Mutant of Tryptophansynthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl310

b:32.7
occ:1.00
 O A:HOH502 2.9 67.5 1.0
O A:ALA167 3.1 22.6 1.0
O A:GLY170 3.2 26.0 1.0
O A:HOH496 3.2 43.2 1.0
O A:HIS204 3.6 22.6 1.0
O A:HOH560 3.9 41.5 0.5
N A:ALA206 4.1 16.9 1.0
CD A:ARG171 4.3 26.4 1.0
O A:SER168 4.3 28.8 0.7
C A:ALA167 4.3 20.0 1.0
NH2 A:ARG171 4.3 34.1 1.0
C A:GLY170 4.3 20.8 1.0
C A:ALA205 4.4 17.2 1.0
CA A:ALA205 4.5 18.6 1.0
C A:HIS204 4.6 22.5 1.0
O A:SER168 4.7 24.8 0.3
NE A:ARG171 4.8 34.5 1.0
C A:SER168 4.8 23.9 0.7
CZ A:ARG171 4.9 32.8 1.0
CA A:ALA206 4.9 17.4 1.0
C A:SER168 4.9 23.1 0.3
CB A:ALA206 4.9 17.3 1.0

Chlorine binding site 2 out of 3 in 7kh6

Go back to Chlorine Binding Sites List in 7kh6
Chlorine binding site 2 out of 3 in the 1.45 Angstrom Resolution Internal Aldimine Crystal Structure of the Beta-Q114A Mutant of Tryptophansynthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and 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 1.45 Angstrom Resolution Internal Aldimine Crystal Structure of the Beta-Q114A Mutant of Tryptophansynthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl415

b:67.2
occ:1.00
 O B:HOH899 4.3 47.0 1.0
O B:HOH979 4.4 43.2 1.0
O B:HOH905 4.5 30.1 1.0
O B:HOH968 4.7 31.0 1.0
O B:HOH849 4.8 22.9 1.0
O B:HOH956 4.8 24.5 1.0
O B:HOH940 4.9 51.6 1.0
O B:HOH668 4.9 18.1 1.0
O B:HOH532 4.9 24.4 1.0

Chlorine binding site 3 out of 3 in 7kh6

Go back to Chlorine Binding Sites List in 7kh6
Chlorine binding site 3 out of 3 in the 1.45 Angstrom Resolution Internal Aldimine Crystal Structure of the Beta-Q114A Mutant of Tryptophansynthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and 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 1.45 Angstrom Resolution Internal Aldimine Crystal Structure of the Beta-Q114A Mutant of Tryptophansynthase in Complex with N-(4'- Trifluoromethoxybenzenesulfonyl)-2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl416

b:54.8
occ:1.00
 O B:HOH831 2.4 38.0 1.0
O B:HOH771 2.8 49.8 1.0
N B:GLU369 3.1 13.4 0.4
N B:GLU369 3.1 14.3 0.6
O B:HOH802 3.1 49.4 1.0
CB B:GLU369 3.4 16.9 0.4
CB B:GLU369 3.6 20.4 0.6
CA B:GLU369 3.8 14.3 0.4
CA B:GLU369 3.8 15.3 0.6
C B:LYS368 4.0 12.9 1.0
CA B:LYS368 4.0 12.8 1.0
O B:GLU367 4.2 17.1 0.6
O B:GLU367 4.2 14.1 0.5
O B:GLU369 4.3 15.0 0.4
O B:GLU369 4.3 17.8 0.6
NH1 B:ARG70 4.6 27.4 0.6
C B:GLU369 4.6 14.5 0.4
C B:GLU369 4.6 15.9 0.6
CG B:LYS368 4.6 13.6 1.0
CG B:GLU369 4.8 21.9 0.4
CB B:LYS368 4.9 12.6 1.0
O B:HOH541 5.0 38.6 1.0
CZ B:ARG70 5.0 25.5 0.6

Reference:

E.Hilario, M.F.Dunn, L.J.Mueller. 1.45 Angstrom Resolution Internal Aldimine Crystal Structure of the Beta-Q114A Mutant of Tryptophan Synthase in Complex with N-(4'-Trifluoromethoxybenzenesulfonyl) -2-Amino-1-Ethylphosphate (F9F) at the Enzyme Alpha-Site and Cesium Ion at the Metal Coordination Site. To Be Published.
Page generated: Mon Jul 29 23:32:21 2024

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