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Fluorine in PDB 7mt6: Crystal Structure of Tryptophan Synthase in Complex with F9, Cs+, Benzimidazole, PH7.8 - Alpha Aminoacrylate Form - E(A-A)(Bzi)

Enzymatic activity of Crystal Structure of Tryptophan Synthase in Complex with F9, Cs+, Benzimidazole, PH7.8 - Alpha Aminoacrylate Form - E(A-A)(Bzi)

All present enzymatic activity of Crystal Structure of Tryptophan Synthase in Complex with F9, Cs+, Benzimidazole, PH7.8 - Alpha Aminoacrylate Form - E(A-A)(Bzi):
4.2.1.20;

Protein crystallography data

The structure of Crystal Structure of Tryptophan Synthase in Complex with F9, Cs+, Benzimidazole, PH7.8 - Alpha Aminoacrylate Form - E(A-A)(Bzi), PDB code: 7mt6 was solved by V.Drago, E.Hilarios, M.F.Dunn, T.C.Mueser, L.J.Mueller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.23 / 1.70
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 183.96, 60.96, 67.41, 90, 94.58, 90
R / Rfree (%) 16 / 19.3

Other elements in 7mt6:

The structure of Crystal Structure of Tryptophan Synthase in Complex with F9, Cs+, Benzimidazole, PH7.8 - Alpha Aminoacrylate Form - E(A-A)(Bzi) also contains other interesting chemical elements:

Caesium (Cs) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Tryptophan Synthase in Complex with F9, Cs+, Benzimidazole, PH7.8 - Alpha Aminoacrylate Form - E(A-A)(Bzi) (pdb code 7mt6). 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 Tryptophan Synthase in Complex with F9, Cs+, Benzimidazole, PH7.8 - Alpha Aminoacrylate Form - E(A-A)(Bzi), PDB code: 7mt6:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 7mt6

Go back to Fluorine Binding Sites List in 7mt6
Fluorine binding site 1 out of 3 in the Crystal Structure of Tryptophan Synthase in Complex with F9, Cs+, Benzimidazole, PH7.8 - Alpha Aminoacrylate Form - E(A-A)(Bzi)


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 Tryptophan Synthase in Complex with F9, Cs+, Benzimidazole, PH7.8 - Alpha Aminoacrylate Form - E(A-A)(Bzi) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:23.9
occ:1.00
F9F A:F9F401 0.0 23.9 1.0
C8 A:F9F401 1.3 23.0 1.0
F10 A:F9F401 2.2 23.5 1.0
O7 A:F9F401 2.2 22.1 1.0
F11 A:F9F401 2.2 23.7 1.0
O B:HOH671 3.1 17.1 1.0
O A:HOH724 3.2 24.3 1.0
O A:ALA129 3.3 21.1 1.0
O B:HOH724 3.4 17.5 1.0
CB B:PRO18 3.4 19.1 1.0
C1 A:F9F401 3.5 24.1 1.0
CB A:ALA59 3.8 21.7 1.0
CG B:PRO18 4.0 18.3 1.0
CB A:ALA129 4.0 15.8 1.0
C A:ALA129 4.1 19.5 1.0
O A:HOH645 4.1 24.4 1.0
CA B:PRO18 4.1 17.2 1.0
C2 A:F9F401 4.2 22.4 1.0
CA A:ALA129 4.2 17.2 1.0
C6 A:F9F401 4.5 20.7 1.0
CZ A:PHE212 4.8 23.1 1.0
N B:GLN19 4.8 17.2 1.0
CG1 A:ILE153 4.9 25.7 1.0
C B:PRO18 5.0 20.0 1.0

Fluorine binding site 2 out of 3 in 7mt6

Go back to Fluorine Binding Sites List in 7mt6
Fluorine binding site 2 out of 3 in the Crystal Structure of Tryptophan Synthase in Complex with F9, Cs+, Benzimidazole, PH7.8 - Alpha Aminoacrylate Form - E(A-A)(Bzi)


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 Tryptophan Synthase in Complex with F9, Cs+, Benzimidazole, PH7.8 - Alpha Aminoacrylate Form - E(A-A)(Bzi) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:23.5
occ:1.00
F10 A:F9F401 0.0 23.5 1.0
C8 A:F9F401 1.3 23.0 1.0
F9F A:F9F401 2.2 23.9 1.0
F11 A:F9F401 2.2 23.7 1.0
O7 A:F9F401 2.3 22.1 1.0
C1 A:F9F401 2.9 24.1 1.0
C2 A:F9F401 2.9 22.4 1.0
O A:HOH724 3.2 24.3 1.0
O B:HOH724 3.6 17.5 1.0
CZ A:PHE212 3.8 23.1 1.0
CD1 A:ILE153 3.8 23.1 1.0
CE2 A:PHE212 4.0 23.1 1.0
O B:HOH671 4.0 17.1 1.0
CG1 A:ILE153 4.0 25.7 1.0
CD1 A:LEU177 4.1 25.8 1.0
C6 A:F9F401 4.1 20.7 1.0
C3 A:F9F401 4.2 24.1 1.0
CG2 A:ILE153 4.3 22.4 1.0
CD2 A:LEU177 4.6 20.2 1.0
CE1 A:PHE212 4.7 21.4 1.0
CB A:ILE153 4.8 19.9 1.0
O A:HOH645 5.0 24.4 1.0
CG A:LEU177 5.0 28.8 1.0

Fluorine binding site 3 out of 3 in 7mt6

Go back to Fluorine Binding Sites List in 7mt6
Fluorine binding site 3 out of 3 in the Crystal Structure of Tryptophan Synthase in Complex with F9, Cs+, Benzimidazole, PH7.8 - Alpha Aminoacrylate Form - E(A-A)(Bzi)


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 Tryptophan Synthase in Complex with F9, Cs+, Benzimidazole, PH7.8 - Alpha Aminoacrylate Form - E(A-A)(Bzi) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:23.7
occ:1.00
F11 A:F9F401 0.0 23.7 1.0
C8 A:F9F401 1.3 23.0 1.0
F9F A:F9F401 2.2 23.9 1.0
F10 A:F9F401 2.2 23.5 1.0
O7 A:F9F401 2.3 22.1 1.0
C1 A:F9F401 2.9 24.1 1.0
C2 A:F9F401 2.9 22.4 1.0
O B:HOH671 3.3 17.1 1.0
CD2 A:LEU127 3.4 21.0 1.0
CA A:ALA129 3.4 17.2 1.0
CD1 A:ILE153 3.5 23.1 1.0
CB A:ALA129 3.6 15.8 1.0
O A:ALA129 3.6 21.1 1.0
CG1 A:ILE153 3.7 25.7 1.0
C A:ALA129 4.0 19.5 1.0
C6 A:F9F401 4.1 20.7 1.0
C3 A:F9F401 4.2 24.1 1.0
N A:ALA129 4.5 16.4 1.0
CG A:LEU127 4.6 22.4 1.0
O B:HOH724 4.6 17.5 1.0
O A:HOH585 4.7 29.4 1.0
CD1 A:LEU127 4.7 17.5 1.0
O A:HOH578 4.9 26.5 1.0
O A:VAL128 4.9 17.3 1.0
O A:HOH724 4.9 24.3 1.0
CB A:ILE153 5.0 19.9 1.0

Reference:

L.J.Mueller, V.Drago, E.Hilarios, M.F.Dunn, T.C.Mueser, L.J.Mueller. N/A N/A.
Page generated: Thu Mar 31 02:59:57 2022

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