Fluorine in PDB 7hma: Pandda Analysis Group Deposition -- Crystal Structure of TRIM21 in Complex with Z291279160

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of TRIM21 in Complex with Z291279160:
2.3.2.27;

The structure of Pandda Analysis Group Deposition -- Crystal Structure of TRIM21 in Complex with Z291279160, PDB code: 7hma was solved by Y.Kim, P.Marples, D.Fearon, F.Von Delft, S.Knapp, A.Kraemer, Structuralgenomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.78 / 1.15
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	95.471, 95.471, 45.711, 90, 90, 90
R / Rfree (%)	17.6 / 18.9

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of TRIM21 in Complex with Z291279160 (pdb code 7hma). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Pandda Analysis Group Deposition -- Crystal Structure of TRIM21 in Complex with Z291279160, PDB code: 7hma:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of TRIM21 in Complex with Z291279160


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 TRIM21 in Complex with Z291279160 within 5.0Å range: probe atom residue distance (Å) B Occ B:F202 b:49.2 occ:0.85 F B:LV4202 0.0 49.2 0.8 C7 B:LV4202 1.3 51.6 0.8 F1 B:LV4202 2.1 55.1 0.8 F2 B:LV4202 2.1 50.0 0.8 O B:LV4202 2.2 46.9 0.8 C3 B:LV4202 3.5 40.6 0.8 OH B:TYR179 4.1 24.0 1.0 N B:LV4202 4.2 39.3 0.8 C2 B:LV4202 4.3 37.0 0.8 C4 B:LV4202 4.4 39.3 0.8 O2 B:EDO201 4.6 38.9 1.0 C2 B:EDO201 4.6 32.8 1.0

Fluorine binding site 2 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of TRIM21 in Complex with Z291279160


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 TRIM21 in Complex with Z291279160 within 5.0Å range: probe atom residue distance (Å) B Occ B:F202 b:55.1 occ:0.85 F1 B:LV4202 0.0 55.1 0.8 C7 B:LV4202 1.3 51.6 0.8 F B:LV4202 2.1 49.2 0.8 F2 B:LV4202 2.1 50.0 0.8 O B:LV4202 2.2 46.9 0.8 O2 B:EDO201 2.8 38.9 1.0 C3 B:LV4202 2.9 40.6 0.8 C2 B:LV4202 2.9 37.0 0.8 C2 B:EDO201 3.5 32.8 1.0 CH2 B:TRP27 4.1 18.9 1.0 C4 B:LV4202 4.2 39.3 0.8 C1 B:LV4202 4.3 36.5 0.8 CZ2 B:TRP27 4.4 17.1 1.0 CZ3 B:TRP27 4.5 18.6 1.0 N B:LV4202 4.7 39.3 0.8 OH B:TYR179 4.9 24.0 1.0 C1 B:EDO201 4.9 25.4 1.0

Fluorine binding site 3 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of TRIM21 in Complex with Z291279160


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 TRIM21 in Complex with Z291279160 within 5.0Å range: probe atom residue distance (Å) B Occ B:F202 b:50.0 occ:0.85 F2 B:LV4202 0.0 50.0 0.8 C7 B:LV4202 1.3 51.6 0.8 F1 B:LV4202 2.1 55.1 0.8 F B:LV4202 2.1 49.2 0.8 O B:LV4202 2.2 46.9 0.8 C3 B:LV4202 2.7 40.6 0.8 OH B:TYR179 3.1 24.0 1.0 C2 B:LV4202 3.4 37.0 0.8 C2 B:EDO201 3.4 32.8 1.0 C4 B:LV4202 3.5 39.3 0.8 CE1 B:PHE177 3.5 15.6 1.0 O2 B:EDO201 3.6 38.9 1.0 N B:LV4202 3.7 39.3 0.8 CD1 B:PHE177 3.9 14.7 1.0 CZ B:TYR179 4.0 18.3 1.0 CZ B:PHE177 4.3 15.6 1.0 CE1 B:TYR179 4.3 17.5 1.0 C1 B:LV4202 4.4 36.5 0.8 C5 B:LV4202 4.5 39.0 0.8 C1 B:EDO201 4.7 25.4 1.0 C B:LV4202 4.9 38.3 0.8 CE2 B:TYR179 4.9 16.1 1.0 C6 B:LV4202 4.9 39.6 0.8 CG B:PHE177 4.9 12.2 1.0

Y.Kim, P.Marples, D.Fearon, F.Von Delft, S.Knapp, A.Kraemer, Structural Genomics Consortium (Sgc). Pandda Analysis Group Deposition To Be Published.