Atomistry » Fluorine » PDB 6dkw-6e5g » 6duc
Atomistry »
  Fluorine »
    PDB 6dkw-6e5g »
      6duc »

Fluorine in PDB 6duc: Crystal Structure of Mutant Beta-K167T Tryptophan Synthase in Complex with Inhibitor N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1- Ethylphosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid (1D0) at the Beta-Site

Enzymatic activity of Crystal Structure of Mutant Beta-K167T Tryptophan Synthase in Complex with Inhibitor N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1- Ethylphosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid (1D0) at the Beta-Site

All present enzymatic activity of Crystal Structure of Mutant Beta-K167T Tryptophan Synthase in Complex with Inhibitor N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1- Ethylphosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid (1D0) at the Beta-Site:
4.2.1.20;

Protein crystallography data

The structure of Crystal Structure of Mutant Beta-K167T Tryptophan Synthase in Complex with Inhibitor N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1- Ethylphosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid (1D0) at the Beta-Site, PDB code: 6duc 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) 19.70 / 1.79
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 184.261, 60.044, 67.298, 90.00, 94.65, 90.00
R / Rfree (%) 18.5 / 23.2

Other elements in 6duc:

The structure of Crystal Structure of Mutant Beta-K167T Tryptophan Synthase in Complex with Inhibitor N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1- Ethylphosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid (1D0) at the Beta-Site also contains other interesting chemical elements:

Caesium (Cs) 4 atoms
Chlorine (Cl) 11 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Mutant Beta-K167T Tryptophan Synthase in Complex with Inhibitor N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1- Ethylphosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid (1D0) at the Beta-Site (pdb code 6duc). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Mutant Beta-K167T Tryptophan Synthase in Complex with Inhibitor N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1- Ethylphosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid (1D0) at the Beta-Site, PDB code: 6duc:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 6duc

Go back to Fluorine Binding Sites List in 6duc
Fluorine binding site 1 out of 3 in the Crystal Structure of Mutant Beta-K167T Tryptophan Synthase in Complex with Inhibitor N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1- Ethylphosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid (1D0) at the Beta-Site


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Mutant Beta-K167T Tryptophan Synthase in Complex with Inhibitor N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1- Ethylphosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid (1D0) at the Beta-Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:29.5
occ:1.00
 F9F A:F9F301 0.0 29.5 1.0
C8 A:F9F301 1.4 32.8 1.0
F10 A:F9F301 2.2 32.9 1.0
O7 A:F9F301 2.3 35.4 1.0
F11 A:F9F301 2.3 29.4 1.0
O B:HOH643 3.2 28.9 1.0
O A:ALA129 3.2 30.4 1.0
CB B:PRO18 3.3 30.6 1.0
O A:HOH533 3.4 39.2 1.0
O B:HOH717 3.4 27.9 1.0
C1 A:F9F301 3.6 31.5 1.0
CG B:PRO18 3.7 29.7 1.0
CB A:ALA59 3.9 30.7 1.0
CB A:ALA129 3.9 25.8 1.0
C A:ALA129 4.0 28.1 1.0
CA A:ALA129 4.1 22.1 1.0
CA B:PRO18 4.1 23.7 1.0
O A:HOH474 4.2 42.5 1.0
C6 A:F9F301 4.3 30.5 1.0
C2 A:F9F301 4.6 28.4 1.0
CZ A:PHE212 4.8 35.2 1.0
CD1 A:ILE153 4.9 38.1 1.0
CG1 A:ILE153 4.9 35.7 1.0
N B:GLN19 5.0 20.6 1.0

Fluorine binding site 2 out of 3 in 6duc

Go back to Fluorine Binding Sites List in 6duc
Fluorine binding site 2 out of 3 in the Crystal Structure of Mutant Beta-K167T Tryptophan Synthase in Complex with Inhibitor N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1- Ethylphosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid (1D0) at the Beta-Site


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Mutant Beta-K167T Tryptophan Synthase in Complex with Inhibitor N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1- Ethylphosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid (1D0) at the Beta-Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:32.9
occ:1.00
 F10 A:F9F301 0.0 32.9 1.0
C8 A:F9F301 1.4 32.8 1.0
F11 A:F9F301 2.2 29.4 1.0
F9F A:F9F301 2.2 29.5 1.0
O7 A:F9F301 2.3 35.4 1.0
C1 A:F9F301 2.9 31.5 1.0
C6 A:F9F301 2.9 30.5 1.0
CA A:ALA129 3.2 22.1 1.0
O B:HOH643 3.3 28.9 1.0
CD2 A:LEU127 3.3 22.3 1.0
CB A:ALA129 3.4 25.8 1.0
O A:ALA129 3.5 30.4 1.0
CD1 A:ILE153 3.6 38.1 1.0
CG1 A:ILE153 3.7 35.7 1.0
C A:ALA129 3.8 28.1 1.0
C2 A:F9F301 4.2 28.4 1.0
C5 A:F9F301 4.3 26.8 1.0
N A:ALA129 4.4 19.8 1.0
O B:HOH717 4.5 27.9 1.0
CG A:LEU127 4.6 23.9 1.0
CD1 A:LEU127 4.8 29.9 1.0
O A:VAL128 4.9 20.8 1.0
C A:VAL128 4.9 18.9 1.0

Fluorine binding site 3 out of 3 in 6duc

Go back to Fluorine Binding Sites List in 6duc
Fluorine binding site 3 out of 3 in the Crystal Structure of Mutant Beta-K167T Tryptophan Synthase in Complex with Inhibitor N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1- Ethylphosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid (1D0) at the Beta-Site


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Mutant Beta-K167T Tryptophan Synthase in Complex with Inhibitor N-(4'-Trifluoromethoxybenzenesulfonyl)-2-Amino-1- Ethylphosphate (F9F) at the Alpha-Site, Cesium Ion at the Metal Coordination Site, and 2-Aminophenol Quinonoid (1D0) at the Beta-Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:29.4
occ:1.00
 F11 A:F9F301 0.0 29.4 1.0
C8 A:F9F301 1.4 32.8 1.0
F10 A:F9F301 2.2 32.9 1.0
F9F A:F9F301 2.3 29.5 1.0
O7 A:F9F301 2.3 35.4 1.0
C1 A:F9F301 2.8 31.5 1.0
C6 A:F9F301 2.9 30.5 1.0
CD1 A:ILE153 3.2 38.1 1.0
O A:HOH533 3.4 39.2 1.0
O B:HOH717 3.5 27.9 1.0
CZ A:PHE212 3.8 35.2 1.0
CG1 A:ILE153 3.8 35.7 1.0
CE1 A:PHE212 3.9 37.5 1.0
O B:HOH643 4.0 28.9 1.0
C2 A:F9F301 4.1 28.4 1.0
C5 A:F9F301 4.2 26.8 1.0
CD1 A:LEU177 4.3 34.5 1.0
CG2 A:ILE153 4.5 31.2 1.0
CD2 A:LEU177 4.6 34.6 1.0
CE2 A:PHE212 4.6 38.2 1.0
CB A:ILE153 4.8 28.4 1.0
CD1 A:PHE212 4.9 36.9 1.0

Reference:

E.Hilario, M.F.Dunn, L.J.Mueller, L.Fan. Tryptophan Synthase Q114A Mutant in Complex with Inhibitor N-(4'-Trifluoromethoxybenzenesulfonyl) -2-Amino-1-Ethylphosphate (F9F) at the Alpha-Site, Aminoacrylate (P1T) at the Beta Site, and Cesium Ion at the Metal Coordination Site. To Be Published.
Page generated: Thu Aug 1 19:11:18 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy