Fluorine in PDB 7mt4: Crystal Structure of Tryptophan Synthase in Complex with F9, NH4+, PH7.8 - Alpha Aminoacrylate Form - E(A-A)

All present enzymatic activity of Crystal Structure of Tryptophan Synthase in Complex with F9, NH4+, PH7.8 - Alpha Aminoacrylate Form - E(A-A):
4.2.1.20;

The structure of Crystal Structure of Tryptophan Synthase in Complex with F9, NH4+, PH7.8 - Alpha Aminoacrylate Form - E(A-A), PDB code: 7mt4 was solved by V.Drago, E.Hilario, 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)	36.31 / 1.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	183.086, 59.403, 67.343, 90, 94.91, 90
R / Rfree (%)	17.7 / 20.3

The binding sites of Fluorine atom in the Crystal Structure of Tryptophan Synthase in Complex with F9, NH4+, PH7.8 - Alpha Aminoacrylate Form - E(A-A) (pdb code 7mt4). 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, NH4+, PH7.8 - Alpha Aminoacrylate Form - E(A-A), PDB code: 7mt4:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of Tryptophan Synthase in Complex with F9, NH4+, PH7.8 - Alpha Aminoacrylate Form - E(A-A)


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, NH4+, PH7.8 - Alpha Aminoacrylate Form - E(A-A) within 5.0Å range: probe atom residue distance (Å) B Occ A:F400 b:17.6 occ:1.00 F9F A:F9F400 0.0 17.6 1.0 C8 A:F9F400 1.3 17.8 1.0 F11 A:F9F400 2.2 17.7 1.0 F10 A:F9F400 2.2 17.0 1.0 O7 A:F9F400 2.3 16.5 1.0 C1 A:F9F400 2.9 16.1 1.0 C6 A:F9F400 2.9 22.8 1.0 CA A:ALA129 3.3 12.9 1.0 O A:HOH592 3.3 14.8 1.0 CD2 A:LEU127 3.4 14.4 1.0 CB A:ALA129 3.4 15.2 1.0 O A:ALA129 3.6 15.2 1.0 CD1 A:ILE153 3.6 20.3 1.0 CG1 A:ILE153 3.8 18.5 1.0 C A:ALA129 3.9 12.4 1.0 C2 A:F9F400 4.1 16.6 1.0 C5 A:F9F400 4.3 17.4 1.0 N A:ALA129 4.5 11.7 1.0 O B:HOH766 4.5 15.3 1.0 O A:HOH634 4.6 21.6 1.0 CG A:LEU127 4.6 14.8 1.0 CD1 A:LEU127 4.8 18.4 1.0 O A:HOH713 4.9 19.3 1.0 O A:HOH569 4.9 19.9 1.0 O A:VAL128 4.9 12.5 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of Tryptophan Synthase in Complex with F9, NH4+, PH7.8 - Alpha Aminoacrylate Form - E(A-A)


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, NH4+, PH7.8 - Alpha Aminoacrylate Form - E(A-A) within 5.0Å range: probe atom residue distance (Å) B Occ A:F400 b:17.0 occ:1.00 F10 A:F9F400 0.0 17.0 1.0 C8 A:F9F400 1.3 17.8 1.0 F11 A:F9F400 2.1 17.7 1.0 O7 A:F9F400 2.2 16.5 1.0 F9F A:F9F400 2.2 17.6 1.0 O A:HOH713 3.1 19.3 1.0 O A:HOH592 3.2 14.8 1.0 O B:HOH766 3.3 15.3 1.0 O A:ALA129 3.3 15.2 1.0 CB B:PRO18 3.4 11.8 1.0 C1 A:F9F400 3.5 16.1 1.0 CB A:ALA59 3.8 17.3 1.0 CG B:PRO18 3.9 18.7 1.0 O A:HOH638 4.0 19.1 1.0 CB A:ALA129 4.0 15.2 1.0 C A:ALA129 4.1 12.4 1.0 CA B:PRO18 4.1 16.7 1.0 C6 A:F9F400 4.2 22.8 1.0 CA A:ALA129 4.2 12.9 1.0 C2 A:F9F400 4.5 16.6 1.0 CZ A:PHE212 4.7 18.6 1.0 N B:GLN19 4.9 14.7 1.0 CG1 A:ILE153 4.9 18.5 1.0 C B:PRO18 5.0 15.9 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of Tryptophan Synthase in Complex with F9, NH4+, PH7.8 - Alpha Aminoacrylate Form - E(A-A)


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, NH4+, PH7.8 - Alpha Aminoacrylate Form - E(A-A) within 5.0Å range: probe atom residue distance (Å) B Occ A:F400 b:17.7 occ:1.00 F11 A:F9F400 0.0 17.7 1.0 C8 A:F9F400 1.3 17.8 1.0 F10 A:F9F400 2.1 17.0 1.0 F9F A:F9F400 2.2 17.6 1.0 O7 A:F9F400 2.2 16.5 1.0 C1 A:F9F400 2.8 16.1 1.0 C6 A:F9F400 2.9 22.8 1.0 O A:HOH713 3.2 19.3 1.0 O B:HOH766 3.6 15.3 1.0 CZ A:PHE212 3.7 18.6 1.0 CE2 A:PHE212 4.0 16.9 1.0 CD1 A:ILE153 4.0 20.3 1.0 CD1 A:LEU177 4.0 20.8 1.0 C2 A:F9F400 4.1 16.6 1.0 O A:HOH592 4.2 14.8 1.0 CG1 A:ILE153 4.2 18.5 1.0 C5 A:F9F400 4.2 17.4 1.0 CG2 A:ILE153 4.3 22.5 1.0 CD2 A:LEU177 4.6 18.9 1.0 CE1 A:PHE212 4.6 15.8 1.0 CB A:ILE153 4.9 18.0 1.0 O A:HOH638 5.0 19.1 1.0 CG A:LEU177 5.0 27.1 1.0

L.J.Mueller, V.Drago, E.Hilario, M.F.Dunn, T.C.Mueser, L.J.Mueller. N/A N/A.