Fluorine in PDB 7g8j: ARHGEF2 Pandda Analysis Group Deposition -- ARHGEF2 and Rhoa in Complex with Z1216861874

All present enzymatic activity of ARHGEF2 Pandda Analysis Group Deposition -- ARHGEF2 and Rhoa in Complex with Z1216861874:
3.6.5.2;

The structure of ARHGEF2 Pandda Analysis Group Deposition -- ARHGEF2 and Rhoa in Complex with Z1216861874, PDB code: 7g8j was solved by W.J.Bradshaw, V.L.Katis, C.Bountra, F.Von Delft, P.E.Brennan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.65 / 1.99
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	70.955, 70.955, 196.386, 90, 90, 90
R / Rfree (%)	22.7 / 28.1

The binding sites of Fluorine atom in the ARHGEF2 Pandda Analysis Group Deposition -- ARHGEF2 and Rhoa in Complex with Z1216861874 (pdb code 7g8j). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the ARHGEF2 Pandda Analysis Group Deposition -- ARHGEF2 and Rhoa in Complex with Z1216861874, PDB code: 7g8j:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the ARHGEF2 Pandda Analysis Group Deposition -- ARHGEF2 and Rhoa in Complex with Z1216861874


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of ARHGEF2 Pandda Analysis Group Deposition -- ARHGEF2 and Rhoa in Complex with Z1216861874 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:53.8 occ:0.76 F A:YYI201 0.0 53.8 0.8 C A:YYI201 1.3 53.7 0.8 F1 A:YYI201 2.0 53.8 0.8 O A:YYI201 2.2 53.6 0.8 O A:HOH333 2.9 33.4 1.0 CG1 A:VAL167 3.3 29.4 1.0 CB A:VAL167 3.3 29.0 1.0 N A:ARG168 3.4 25.1 1.0 C1 A:YYI201 3.4 53.8 0.8 O A:HOH402 3.7 48.8 1.0 O A:LYS164 3.8 36.2 1.0 C A:VAL167 4.0 26.3 1.0 CB A:ARG168 4.0 27.2 1.0 CA A:ARG168 4.0 26.0 1.0 C5 A:YYI201 4.1 53.7 0.8 CA A:VAL167 4.2 27.9 1.0 CB A:LYS164 4.3 37.6 1.0 C2 A:YYI201 4.4 53.7 0.8 CD A:LYS164 4.4 48.5 1.0 CG2 A:VAL167 4.4 29.7 1.0 OD1 A:ASP28 4.5 55.4 1.0 CG A:LYS164 4.6 43.3 1.0 N A:VAL167 4.7 28.1 1.0 C A:LYS164 4.7 35.9 1.0 CD1 A:PHE25 4.7 28.7 1.0 CA A:LYS164 4.8 36.1 1.0 O A:VAL167 4.9 26.3 1.0

Fluorine binding site 2 out of 2 in the ARHGEF2 Pandda Analysis Group Deposition -- ARHGEF2 and Rhoa in Complex with Z1216861874


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of ARHGEF2 Pandda Analysis Group Deposition -- ARHGEF2 and Rhoa in Complex with Z1216861874 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:53.8 occ:0.76 F1 A:YYI201 0.0 53.8 0.8 C A:YYI201 1.3 53.7 0.8 F A:YYI201 2.0 53.8 0.8 O A:YYI201 2.2 53.6 0.8 C1 A:YYI201 2.9 53.8 0.8 OD1 A:ASP28 3.1 55.4 1.0 C2 A:YYI201 3.3 53.7 0.8 CA A:ASP28 3.4 47.7 1.0 O A:VAL24 3.6 29.8 1.0 CG A:ASP28 3.8 55.2 1.0 CD A:LYS164 3.8 48.5 1.0 C5 A:YYI201 3.9 53.7 0.8 C A:ASP28 3.9 49.0 1.0 CB A:ASP28 4.0 49.9 1.0 CA A:PHE25 4.2 31.1 1.0 CG1 A:VAL167 4.3 29.4 1.0 N A:ASP28 4.3 46.1 1.0 C3 A:YYI201 4.4 53.8 0.8 C A:VAL24 4.4 30.1 1.0 N A:GLN29 4.4 49.9 1.0 CG A:LYS164 4.5 43.3 1.0 O A:ASP28 4.5 49.1 1.0 O A:PHE25 4.5 32.9 1.0 CG1 A:VAL24 4.5 32.2 1.0 CD1 A:PHE25 4.6 28.7 1.0 N A:PHE25 4.7 30.2 1.0 O A:HOH402 4.7 48.8 1.0 O A:HOH333 4.7 33.4 1.0 CE A:LYS164 4.8 53.6 1.0 CB A:LYS164 4.8 37.6 1.0 CB A:VAL167 4.8 29.0 1.0 N A:YYI201 4.8 54.0 0.8 C A:PHE25 4.8 33.0 1.0 OD2 A:ASP28 4.8 58.1 1.0 NZ A:LYS164 4.9 57.0 1.0

W.J.Bradshaw, V.L.Katis, C.Bountra, F.Von Delft, P.E.Brennan. ARHGEF2 Pandda Analysis Group Deposition To Be Published.