Fluorine in PDB 7htv: Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z57122377

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z57122377:
3.1.2.14;

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z57122377, PDB code: 7htv was solved by E.Kot, X.Ni, C.W.E.Tomlinson, D.Fearon, J.C.Aschenbrenner, M.Fairhead, L.Koekemoer, M.L.Marx, N.D.Wright, N.P.Mulholland, M.G.Montgomery, F.Vondelft, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.40 / 1.96
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	98.968, 98.994, 128.223, 90, 90, 90
R / Rfree (%)	25.4 / 29.3

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z57122377 (pdb code 7htv). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z57122377, PDB code: 7htv:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z57122377


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z57122377 within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:41.1 occ:0.38 F16 A:ELQ401 0.0 41.1 0.4 C14 A:ELQ401 1.4 41.0 0.4 C13 A:ELQ401 2.3 41.0 0.4 C15 A:ELQ401 2.4 40.9 0.4 F17 A:ELQ401 2.7 41.2 0.4 O A:TYR297 3.6 38.3 1.0 C12 A:ELQ401 3.6 41.0 0.4 C10 A:ELQ401 3.6 40.9 0.4 CG2 A:VAL197 3.7 38.2 1.0 CA A:ALA144 3.8 37.4 1.0 O A:THR143 3.8 37.7 1.0 CB A:ALA144 3.9 37.5 1.0 O A:HOH605 4.1 25.9 0.4 C11 A:ELQ401 4.1 40.9 0.4 N A:ALA144 4.3 37.2 1.0 C A:THR143 4.3 37.8 1.0 CG2 A:VAL142 4.3 40.2 1.0 O A:HOH529 4.4 39.5 1.0 CD2 A:LEU206 4.6 57.0 1.0 C A:TYR297 4.7 37.7 1.0 CD1 A:LEU206 4.7 56.6 1.0 C08 A:ELQ401 4.9 41.2 0.4

Fluorine binding site 2 out of 4 in the Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z57122377


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z57122377 within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:41.2 occ:0.38 F17 A:ELQ401 0.0 41.2 0.4 C13 A:ELQ401 1.3 41.0 0.4 C14 A:ELQ401 2.3 41.0 0.4 C12 A:ELQ401 2.4 41.0 0.4 F16 A:ELQ401 2.7 41.1 0.4 CD1 A:LEU206 3.1 56.6 1.0 CD2 A:LEU206 3.2 57.0 1.0 CG A:LEU206 3.4 56.2 1.0 C15 A:ELQ401 3.6 40.9 0.4 C11 A:ELQ401 3.6 40.9 0.4 C10 A:ELQ401 4.1 40.9 0.4 O A:ARG298 4.5 35.9 1.0 CG2 A:VAL197 4.7 38.2 1.0 O A:HOH605 4.8 25.9 0.4 CG2 A:VAL142 4.8 40.2 1.0 SD A:MET199 4.9 54.4 1.0 CB A:LEU206 5.0 54.7 1.0

Fluorine binding site 3 out of 4 in the Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z57122377


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z57122377 within 5.0Å range: probe atom residue distance (Å) B Occ B:F401 b:55.5 occ:0.63 F16 B:ELQ401 0.0 55.5 0.6 C14 B:ELQ401 1.4 55.6 0.6 C13 B:ELQ401 2.3 55.8 0.6 C15 B:ELQ401 2.4 55.6 0.6 F17 B:ELQ401 2.7 56.1 0.6 O B:TYR297 3.3 37.4 1.0 C12 B:ELQ401 3.6 55.6 0.6 C10 B:ELQ401 3.6 55.4 0.6 CG1 B:VAL142 3.8 30.5 0.6 O B:THR143 3.8 30.5 0.6 CA B:ALA144 4.0 33.9 1.0 C11 B:ELQ401 4.1 55.4 0.6 CG2 B:VAL197 4.2 29.4 0.6 CB B:ALA144 4.2 34.2 1.0 C B:TYR297 4.3 37.6 1.0 O B:HOH520 4.4 49.0 1.0 C B:THR143 4.5 31.1 0.6 N B:ALA144 4.5 32.5 1.0 O B:HOH596 4.6 53.0 1.0 CD2 B:LEU206 4.7 44.7 0.6 O B:ARG298 4.8 39.1 1.0 C08 B:ELQ401 4.9 55.7 0.6 CB B:TYR297 4.9 36.6 1.0 CA B:ARG298 5.0 39.0 1.0

Fluorine binding site 4 out of 4 in the Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z57122377


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Pandda Analysis Group Deposition -- Crystal Structure of Fata in Complex with Z57122377 within 5.0Å range: probe atom residue distance (Å) B Occ B:F401 b:56.1 occ:0.63 F17 B:ELQ401 0.0 56.1 0.6 C13 B:ELQ401 1.3 55.8 0.6 C14 B:ELQ401 2.3 55.6 0.6 C12 B:ELQ401 2.4 55.6 0.6 F16 B:ELQ401 2.7 55.5 0.6 CE B:MET199 3.5 35.7 0.6 C15 B:ELQ401 3.6 55.6 0.6 C11 B:ELQ401 3.6 55.4 0.6 CD2 B:LEU206 3.9 44.7 0.6 O B:ARG298 4.0 39.1 1.0 CD1 B:LEU206 4.0 44.2 0.6 CG B:LEU206 4.1 43.7 0.6 C10 B:ELQ401 4.1 55.4 0.6 O3 B:SO4404 4.5 68.2 0.6 CG1 B:VAL142 4.7 30.5 0.6 C B:ARG298 4.8 38.9 1.0 O4 B:SO4404 4.8 68.3 0.6

E.Kot, X.Ni, C.W.E.Tomlinson, D.Fearon, J.C.Aschenbrenner, M.Fairhead, L.Koekemoer, M.L.Marx, N.D.Wright, N.P.Mulholland, M.G.Montgomery, F.Von Delft. Pandda Analysis Group Deposition To Be Published.