Chlorine in PDB 7kq9: The Aminoacrylate Form of the Beta-Q114A Mutant Tryptophan Synthase at 1.50 Angstrom Resolution with Cesium Ion at the Metal Coordination Site

Enzymatic activity of The Aminoacrylate Form of the Beta-Q114A Mutant Tryptophan Synthase at 1.50 Angstrom Resolution with Cesium Ion at the Metal Coordination Site

All present enzymatic activity of The Aminoacrylate Form of the Beta-Q114A 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 Aminoacrylate Form of the Beta-Q114A Mutant Tryptophan Synthase at 1.50 Angstrom Resolution with Cesium Ion at the Metal Coordination Site, PDB code: 7kq9 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) 39.28 / 1.50
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 182.622, 59.92, 67.416, 90, 94.87, 90
R / Rfree (%) 17.8 / 21.7

Other elements in 7kq9:

The structure of The Aminoacrylate Form of the Beta-Q114A Mutant Tryptophan Synthase at 1.50 Angstrom Resolution with Cesium Ion at the Metal Coordination Site also contains other interesting chemical elements:

Bromine (Br) 1 atom
Caesium (Cs) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Aminoacrylate Form of the Beta-Q114A Mutant Tryptophan Synthase at 1.50 Angstrom Resolution with Cesium Ion at the Metal Coordination Site (pdb code 7kq9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the The Aminoacrylate Form of the Beta-Q114A Mutant Tryptophan Synthase at 1.50 Angstrom Resolution with Cesium Ion at the Metal Coordination Site, PDB code: 7kq9:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 7kq9

Go back to Chlorine Binding Sites List in 7kq9
Chlorine binding site 1 out of 5 in the The Aminoacrylate Form of the Beta-Q114A 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 Aminoacrylate Form of the Beta-Q114A 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:Cl301

b:58.0
occ:1.00
 O A:HOH468 2.6 53.2 1.0
OG1 A:THR94 3.1 34.6 1.0
N A:THR94 3.2 27.6 1.0
N A:ILE95 3.2 30.0 1.0
C A:HIS92 3.5 26.8 1.0
N A:PRO93 3.6 27.8 1.0
CA A:HIS92 3.6 27.9 1.0
CB A:HIS92 3.7 28.6 1.0
O A:HOH562 3.8 53.3 1.0
CA A:THR94 3.8 29.0 1.0
CD A:PRO93 3.9 29.2 1.0
CB A:ILE95 3.9 28.8 1.0
C A:THR94 4.0 30.6 1.0
CB A:THR94 4.0 30.5 1.0
O A:HIS92 4.0 26.4 1.0
CG2 A:ILE95 4.1 27.4 1.0
CA A:ILE95 4.1 28.7 1.0
O A:HOH439 4.1 54.5 1.0
C A:PRO93 4.2 26.9 1.0
CA A:PRO93 4.4 27.4 1.0
ND1 A:HIS92 4.5 32.7 1.0
CG A:PRO93 4.5 29.9 1.0
CG A:HIS92 4.6 29.6 1.0
CG2 A:THR94 4.8 29.4 1.0

Chlorine binding site 2 out of 5 in 7kq9

Go back to Chlorine Binding Sites List in 7kq9
Chlorine binding site 2 out of 5 in the The Aminoacrylate Form of the Beta-Q114A 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 Aminoacrylate Form of the Beta-Q114A 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:Cl302

b:78.1
occ:1.00
 O A:HOH479 3.6 49.1 1.0
CD1 A:ILE153 4.1 36.4 1.0
CD2 A:LEU100 4.1 35.2 1.0
CB A:ALA129 4.2 26.8 1.0
O A:ALA59 4.6 69.5 1.0
CG A:LEU100 4.6 31.0 1.0
O A:HOH404 4.8 38.8 1.0
CB A:ALA59 4.9 63.0 1.0
CD1 A:LEU100 5.0 39.8 1.0

Chlorine binding site 3 out of 5 in 7kq9

Go back to Chlorine Binding Sites List in 7kq9
Chlorine binding site 3 out of 5 in the The Aminoacrylate Form of the Beta-Q114A 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 Aminoacrylate Form of the Beta-Q114A 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:Cl404

b:72.6
occ:1.00
 O B:HOH902 4.4 50.1 1.0
O B:HOH573 4.5 28.8 1.0
O B:HOH793 4.5 29.5 1.0
O B:HOH827 4.6 53.0 1.0
O B:HOH830 4.6 32.4 1.0
O B:HOH891 4.6 36.2 1.0
O B:HOH598 4.8 25.0 1.0
O B:HOH877 4.8 29.6 1.0
O B:HOH908 5.0 42.1 1.0

Chlorine binding site 4 out of 5 in 7kq9

Go back to Chlorine Binding Sites List in 7kq9
Chlorine binding site 4 out of 5 in the The Aminoacrylate Form of the Beta-Q114A 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 Aminoacrylate Form of the Beta-Q114A 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:Cl405

b:38.4
occ:1.00
 O B:ASP225 3.0 20.4 1.0
O B:SER249 3.0 24.1 1.0
O B:HOH627 3.4 30.8 1.0
N B:GLY251 4.0 20.3 1.0
C B:ASP225 4.0 20.4 1.0
O B:HOH814 4.0 68.3 1.0
C B:SER249 4.2 23.1 1.0
O B:HOH770 4.2 49.5 1.0
CA B:ASP225 4.3 20.6 1.0
O B:HOH855 4.4 27.5 1.0
CB B:ASP225 4.4 21.0 1.0
O B:HOH631 4.5 32.8 1.0
CA B:GLY251 4.6 20.2 1.0
O B:HOH859 4.7 25.4 1.0
C B:VAL250 4.7 20.4 1.0
OD1 B:ASP225 4.8 24.2 1.0
CA B:VAL250 4.9 20.5 1.0
N B:VAL250 5.0 21.2 1.0

Chlorine binding site 5 out of 5 in 7kq9

Go back to Chlorine Binding Sites List in 7kq9
Chlorine binding site 5 out of 5 in the The Aminoacrylate Form of the Beta-Q114A 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 Aminoacrylate Form of the Beta-Q114A 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:Cl406

b:69.3
occ:1.00
 OD2 B:ASP323 3.1 22.9 1.0
O B:HOH734 3.9 54.0 1.0
O B:HOH655 4.0 20.6 1.0
CG B:ASP323 4.0 20.2 1.0
O B:HOH770 4.2 49.5 1.0
OD1 B:ASP323 4.2 20.2 1.0
O B:HOH671 4.3 34.1 1.0
O B:GLY320 4.7 20.5 1.0
O B:HOH855 5.0 27.5 1.0

Reference:

E.Hilario, M.F.Dunn, L.J.Mueller. The Aminoacrylate Form of the Beta-Q114A Mutant Tryptophan Synthase at 1.50 Angstrom Resolution with Cesium Ion at the Metal Coordination Site To Be Published.
Page generated: Mon Jul 29 23:41:56 2024

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