Chlorine in PDB 7ki7: The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution 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 The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution 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 The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution 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 The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution 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: 7ki7 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) 29.71 / 1.75
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 182.703, 59.419, 67.358, 90, 94.72, 90
R / Rfree (%) 18.9 / 23.6

Other elements in 7ki7:

The structure of The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution 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:

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

Chlorine Binding Sites:

Pages:

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

Binding sites:

The binding sites of Chlorine atom in the The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution 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 7ki7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 11 binding sites of Chlorine where determined in the The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution 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: 7ki7:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 11 in 7ki7

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Chlorine binding site 1 out of 11 in the The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution 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 The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution 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:Cl303

b:47.0
occ:0.75
 CL A:CL304 2.1 49.6 0.7
O A:ASN147 2.9 27.8 1.0
N A:MET1 3.3 41.8 1.0
O A:HOH407 3.3 34.5 1.0
OE2 A:GLU2 3.5 84.5 1.0
OE1 A:GLU2 3.6 87.4 1.0
O A:VAL123 3.8 22.4 1.0
CD A:GLU2 3.8 82.2 1.0
OD1 A:ASP124 3.9 22.6 1.0
C A:ASN147 4.0 24.5 1.0
CB A:ASN147 4.1 28.0 1.0
CA A:ASP124 4.5 20.6 1.0
NH1 A:ARG3 4.5 24.8 1.0
CA A:MET1 4.6 47.0 1.0
CA A:ASN147 4.7 21.7 1.0
CD1 A:ILE148 4.8 25.8 1.0
C A:VAL123 4.8 23.0 1.0
CG A:ASP124 4.9 21.0 1.0
N A:GLU2 4.9 44.7 1.0
O A:ASP124 5.0 24.0 1.0

Chlorine binding site 2 out of 11 in 7ki7

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Chlorine binding site 2 out of 11 in the The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution 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 The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution 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:Cl304

b:49.6
occ:0.68
 CL A:CL303 2.1 47.0 0.8
O A:VAL123 3.6 22.4 1.0
CG A:GLU119 3.7 24.1 1.0
O A:ASN147 3.8 27.8 1.0
O A:HOH442 3.9 42.6 1.0
CA A:GLU119 4.0 20.0 1.0
O A:HIS146 4.0 22.8 1.0
CD1 A:ILE148 4.1 25.8 1.0
CB A:ASN147 4.2 28.0 1.0
O A:GLU119 4.2 24.8 1.0
CB A:GLU119 4.3 22.2 1.0
O A:HOH521 4.4 43.1 1.0
C A:ASN147 4.5 24.5 1.0
C A:GLU119 4.6 19.6 1.0
C A:VAL123 4.7 23.0 1.0
CD A:GLU119 4.8 28.5 1.0
OE2 A:GLU2 4.8 84.5 1.0
CA A:GLY122 4.9 23.9 1.0
OE2 A:GLU119 4.9 29.3 1.0
CA A:ASN147 4.9 21.7 1.0
C A:GLY122 4.9 22.1 1.0

Chlorine binding site 3 out of 11 in 7ki7

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Chlorine binding site 3 out of 11 in the The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution 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 The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution 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:Cl305

b:41.9
occ:1.00
 O A:HOH526 3.1 45.6 1.0
O A:ALA45 3.1 27.2 1.0
O A:ILE41 3.2 32.1 1.0
O A:HOH478 3.5 44.5 1.0
C A:GLY44 4.0 32.8 1.0
C A:ALA45 4.1 27.7 1.0
CA A:GLY44 4.2 27.4 1.0
O A:GLY44 4.2 30.4 1.0
O A:HOH440 4.2 32.3 1.0
C A:ILE41 4.3 27.2 1.0
N A:ALA45 4.3 29.1 1.0
CD1 A:ILE95 4.4 48.0 1.0
CG2 A:ILE41 4.4 32.5 1.0
N A:GLY44 4.6 26.8 1.0
CA A:ILE41 4.8 28.9 1.0
O A:HOH417 4.8 32.3 1.0
CA A:ALA45 4.9 31.4 1.0

Chlorine binding site 4 out of 11 in 7ki7

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Chlorine binding site 4 out of 11 in the The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution 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 4 of The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution 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:Cl306

b:31.3
occ:1.00
 O A:GLY170 3.1 31.7 1.0
O A:ALA167 3.1 37.3 1.0
O A:HIS204 3.4 31.7 1.0
N A:ALA206 3.8 27.5 1.0
O A:HOH415 3.9 20.5 0.5
C A:ALA205 4.2 29.0 1.0
CA A:ALA205 4.3 28.6 1.0
C A:GLY170 4.3 29.6 1.0
NH1 A:ARG171 4.3 51.3 1.0
C A:ALA167 4.4 37.9 1.0
C A:HIS204 4.5 34.1 1.0
O A:SER168 4.5 31.5 1.0
CD A:ARG171 4.5 39.7 1.0
CA A:ALA206 4.6 27.3 1.0
CB A:ALA206 4.8 26.5 1.0
N A:ALA205 4.9 31.2 1.0
O A:ALA205 4.9 30.4 1.0
C A:SER168 4.9 29.1 1.0

Chlorine binding site 5 out of 11 in 7ki7

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Chlorine binding site 5 out of 11 in the The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution 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 5 of The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution 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:Cl411

b:70.0
occ:1.00
 OE1 B:GLU11 3.8 74.7 1.0
O B:HOH554 4.2 30.8 1.0
CE1 B:TYR8 4.2 26.2 1.0
CD1 B:TYR8 4.3 21.7 1.0
CZ B:TYR8 4.3 25.1 1.0
CG B:TYR8 4.3 19.5 1.0
CE2 B:TYR8 4.3 22.4 1.0
CD2 B:TYR8 4.3 22.4 1.0
O A:HOH560 4.3 61.0 1.0
CD B:GLU11 4.7 70.7 1.0
O B:GLY10 4.8 22.2 1.0
OH B:TYR8 4.9 27.6 1.0
O B:HOH529 4.9 32.4 1.0
OE2 B:GLU11 4.9 74.7 1.0
O B:HOH522 5.0 54.5 1.0

Chlorine binding site 6 out of 11 in 7ki7

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Chlorine binding site 6 out of 11 in the The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution 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 6 of The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution 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:Cl412

b:70.5
occ:1.00
 O B:HOH808 4.1 49.9 1.0
CG B:GLN215 4.2 15.8 1.0
O B:HOH788 4.2 38.2 1.0
CB B:PRO56 4.4 17.2 1.0
O B:HOH796 4.4 60.0 1.0
CB B:ALA214 4.4 20.2 1.0
CG B:GLU211 4.5 17.8 1.0
CD B:GLN215 4.5 18.1 1.0
CB B:GLU211 4.5 16.7 1.0
CA B:GLU211 4.6 17.7 1.0
NE2 B:GLN215 4.6 21.9 1.0
O B:GLU211 4.6 13.6 1.0
CG B:PRO56 4.7 17.2 1.0
O B:HOH845 4.7 48.6 1.0

Chlorine binding site 7 out of 11 in 7ki7

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Chlorine binding site 7 out of 11 in the The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution 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 7 of The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution 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:Cl413

b:67.6
occ:1.00
 O B:HOH766 3.6 55.9 1.0
O B:ARG363 3.9 19.6 1.0
O B:HOH670 4.2 26.9 1.0
CA B:GLU364 4.2 20.2 1.0
O B:GLU364 4.2 21.8 1.0
C B:GLU364 4.6 18.0 1.0
O B:HOH532 4.7 27.2 1.0
C B:ARG363 4.7 20.0 1.0
N B:GLU364 4.9 16.9 1.0

Chlorine binding site 8 out of 11 in 7ki7

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Chlorine binding site 8 out of 11 in the The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution 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 8 of The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution 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:Cl414

b:76.4
occ:1.00
 O B:HOH739 3.4 46.6 1.0
N B:GLY221 3.8 23.4 1.0
O B:LYS219 3.9 26.8 1.0
C B:GLU220 4.0 23.0 1.0
O B:ASP218 4.0 25.5 1.0
O B:HOH684 4.1 51.6 1.0
CA B:GLY221 4.1 23.8 1.0
C B:LYS219 4.2 22.7 1.0
O B:GLU220 4.3 24.4 1.0
N B:GLU220 4.4 23.2 1.0
CA B:GLU220 4.4 25.7 1.0
O B:LEU217 4.9 24.3 1.0
C B:ASP218 4.9 23.7 1.0
O B:HOH721 4.9 56.7 1.0

Chlorine binding site 9 out of 11 in 7ki7

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Chlorine binding site 9 out of 11 in the The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution 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 9 of The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution 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:72.8
occ:1.00
 CE1 B:PHE385 3.7 80.2 1.0
CD1 B:PHE385 3.7 74.5 1.0
CG B:HIS388 4.5 53.5 1.0
CB B:HIS388 4.6 36.9 1.0
CZ B:PHE385 4.6 82.9 1.0
CD1 B:ILE384 4.6 50.3 1.0
CD2 B:HIS388 4.7 56.9 1.0
CG B:PHE385 4.7 63.1 1.0
ND1 B:HIS388 4.9 57.2 1.0
CG1 B:ILE384 5.0 42.5 1.0
CA B:PHE385 5.0 37.4 1.0
O B:ILE384 5.0 30.4 1.0

Chlorine binding site 10 out of 11 in 7ki7

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Chlorine binding site 10 out of 11 in the The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution 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 10 of The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution 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:55.2
occ:1.00
 O B:LEU4 3.6 29.7 1.0
C B:LEU5 3.7 26.2 1.0
N B:ASN6 3.8 22.8 1.0
O B:LEU5 3.9 25.2 1.0
O B:THR3 3.9 25.6 1.0
C B:LEU4 4.0 27.2 1.0
CA B:LEU5 4.1 21.9 1.0
N B:LEU5 4.1 21.1 1.0
CA B:ASN6 4.2 28.8 1.0
O B:HOH674 4.3 65.7 1.0
OG1 B:THR3 4.4 29.1 1.0
C B:THR3 4.6 26.7 1.0
O B:HOH682 4.8 54.6 1.0
CB B:ASN6 4.8 30.4 1.0
CA B:LEU4 4.9 27.8 1.0

Reference:

E.Hilario, M.F.Dunn, L.J.Mueller. The External Aldimine Crystal Structure of the Beta-K167T Mutant Tryptophan Synthase at 1.75 Angstrom Resolution 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 23:34:12 2024

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