Fluorine 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
Chlorine (Cl) 11 atoms

Fluorine Binding Sites:

The binding sites of Fluorine 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 Fluorine atom.
In total 3 binding sites of Fluorine 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 Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 7ki7

Go back to Fluorine Binding Sites List in 7ki7
Fluorine binding site 1 out of 3 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 Fluorine with other atoms in the F 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:F301

b:28.5
occ:0.78
 F9F A:F9F301 0.0 28.5 0.8
C8 A:F9F301 1.4 35.2 0.8
F10 A:F9F301 2.2 31.2 0.8
F11 A:F9F301 2.2 33.9 0.8
O7 A:F9F301 2.3 31.2 0.8
O B:HOH657 3.1 22.7 1.0
O A:ALA129 3.2 26.1 1.0
CB B:PRO18 3.3 23.5 1.0
O A:HOH556 3.4 34.8 1.0
O B:HOH681 3.4 25.7 1.0
C1 A:F9F301 3.6 30.1 0.8
CG B:PRO18 3.9 21.0 1.0
CB A:ALA59 3.9 43.9 1.0
CA B:PRO18 4.1 19.5 1.0
C A:ALA129 4.1 23.5 1.0
CB A:ALA129 4.2 24.9 1.0
C6 A:F9F301 4.2 24.4 0.8
CA A:ALA129 4.2 23.6 1.0
O A:HOH448 4.3 42.0 1.0
C2 A:F9F301 4.7 22.5 0.8
CG1 A:ILE153 4.7 33.6 1.0
CD1 A:ILE153 4.8 32.1 1.0
N B:GLN19 4.8 23.1 1.0
CZ A:PHE212 4.9 41.7 1.0
C B:PRO18 4.9 19.6 1.0

Fluorine binding site 2 out of 3 in 7ki7

Go back to Fluorine Binding Sites List in 7ki7
Fluorine binding site 2 out of 3 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 Fluorine with other atoms in the F 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:F301

b:31.2
occ:0.78
 F10 A:F9F301 0.0 31.2 0.8
C8 A:F9F301 1.4 35.2 0.8
F9F A:F9F301 2.2 28.5 0.8
F11 A:F9F301 2.3 33.9 0.8
O7 A:F9F301 2.3 31.2 0.8
C1 A:F9F301 2.9 30.1 0.8
C6 A:F9F301 2.9 24.4 0.8
O B:HOH657 3.3 22.7 1.0
CD2 A:LEU127 3.3 27.2 1.0
CA A:ALA129 3.4 23.6 1.0
CD1 A:ILE153 3.5 32.1 1.0
CG1 A:ILE153 3.6 33.6 1.0
O A:ALA129 3.6 26.1 1.0
CB A:ALA129 3.6 24.9 1.0
C A:ALA129 4.0 23.5 1.0
C2 A:F9F301 4.1 22.5 0.8
C5 A:F9F301 4.2 29.0 0.8
O A:HOH482 4.3 40.0 1.0
N A:ALA129 4.5 22.4 1.0
CG A:LEU127 4.6 21.8 1.0
O B:HOH681 4.6 25.7 1.0
CD1 A:LEU127 4.7 21.9 1.0
O A:VAL128 4.9 19.4 1.0
CB A:ILE153 4.9 35.0 1.0
O A:HOH556 4.9 34.8 1.0
CD2 A:LEU100 5.0 29.9 1.0

Fluorine binding site 3 out of 3 in 7ki7

Go back to Fluorine Binding Sites List in 7ki7
Fluorine binding site 3 out of 3 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 Fluorine with other atoms in the F 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:F301

b:33.9
occ:0.78
 F11 A:F9F301 0.0 33.9 0.8
C8 A:F9F301 1.4 35.2 0.8
F9F A:F9F301 2.2 28.5 0.8
F10 A:F9F301 2.3 31.2 0.8
O7 A:F9F301 2.3 31.2 0.8
C6 A:F9F301 2.9 24.4 0.8
C1 A:F9F301 2.9 30.1 0.8
O A:HOH556 3.1 34.8 1.0
CD1 A:ILE153 3.2 32.1 1.0
CZ A:PHE212 3.6 41.7 1.0
O B:HOH681 3.6 25.7 1.0
CG1 A:ILE153 3.8 33.6 1.0
CE1 A:PHE212 4.0 40.5 1.0
CD1 A:LEU177 4.0 43.4 1.0
O B:HOH657 4.0 22.7 1.0
C5 A:F9F301 4.2 29.0 0.8
C2 A:F9F301 4.2 22.5 0.8
CG2 A:ILE153 4.2 32.4 1.0
CE2 A:PHE212 4.4 47.7 1.0
CB A:ILE153 4.6 35.0 1.0
CD2 A:LEU177 4.7 41.2 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: Fri Nov 5 13:12:58 2021

Last articles

Cl in 6COG
Cl in 6CST
Cl in 6CTW
Cl in 6CTZ
Cl in 6CTT
Cl in 6CSP
Cl in 6CU9
Cl in 6CTX
Cl in 6CTU
Cl in 6CTP
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy