Fluorine in PDB 7g94: ARHGEF2 Pandda Analysis Group Deposition -- ARHGEF2 and Rhoa in Complex with Z1575337975

All present enzymatic activity of ARHGEF2 Pandda Analysis Group Deposition -- ARHGEF2 and Rhoa in Complex with Z1575337975:
3.6.5.2;

The structure of ARHGEF2 Pandda Analysis Group Deposition -- ARHGEF2 and Rhoa in Complex with Z1575337975, PDB code: 7g94 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)	35.51 / 1.47
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	71.024, 71.024, 195.957, 90, 90, 90
R / Rfree (%)	19.1 / 22.4

The binding sites of Fluorine atom in the ARHGEF2 Pandda Analysis Group Deposition -- ARHGEF2 and Rhoa in Complex with Z1575337975 (pdb code 7g94). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the ARHGEF2 Pandda Analysis Group Deposition -- ARHGEF2 and Rhoa in Complex with Z1575337975, PDB code: 7g94:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the ARHGEF2 Pandda Analysis Group Deposition -- ARHGEF2 and Rhoa in Complex with Z1575337975


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 Z1575337975 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:41.3 occ:0.70 F01 A:ZC9201 0.0 41.3 0.7 C02 A:ZC9201 1.4 40.7 0.7 C03 A:ZC9201 2.4 40.0 0.7 C07 A:ZC9201 2.4 40.6 0.7 O A:PRO101 3.5 27.9 1.0 O A:HOH356 3.6 34.2 1.0 C04 A:ZC9201 3.6 39.6 0.7 N06 A:ZC9201 3.6 40.2 0.7 CB A:PRO101 3.9 31.3 1.0 C A:PRO101 3.9 28.0 1.0 C05 A:ZC9201 4.1 39.5 0.7 CB A:HIS105 4.2 27.9 1.0 CA A:PRO101 4.4 29.1 1.0 N A:GLU102 4.5 26.8 1.0 CG A:HIS105 4.7 31.9 1.0 CA A:GLU102 4.9 25.4 1.0 ND1 A:HIS105 4.9 35.1 1.0 O A:HOH329 4.9 57.2 1.0 CG A:PRO101 5.0 32.3 1.0

Fluorine binding site 2 out of 3 in the ARHGEF2 Pandda Analysis Group Deposition -- ARHGEF2 and Rhoa in Complex with Z1575337975


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 Z1575337975 within 5.0Å range: probe atom residue distance (Å) B Occ B:F501 b:54.8 occ:0.80 F01 B:ZC9501 0.0 54.8 0.8 C02 B:ZC9501 1.4 54.3 0.8 C07 B:ZC9501 2.4 54.0 0.8 C03 B:ZC9501 2.4 54.0 0.8 O B:HOH840 2.9 69.8 1.0 NH2 B:ARG400 3.5 25.1 1.0 N06 B:ZC9501 3.6 53.9 0.8 C04 B:ZC9501 3.7 53.7 0.8 CZ B:ARG400 3.7 24.0 1.0 O B:HOH817 3.7 60.2 1.0 NH1 B:ARG400 4.0 22.5 1.0 C05 B:ZC9501 4.1 53.4 0.8 NE B:ARG400 4.2 22.3 1.0 O A:VAL35 4.4 25.5 1.0 O A:HOH384 4.5 44.0 1.0 CG1 A:VAL35 4.5 28.3 1.0 CB A:VAL35 4.6 27.6 1.0 CD B:ARG400 5.0 22.4 1.0 O A:HOH382 5.0 30.4 1.0

Fluorine binding site 3 out of 3 in the ARHGEF2 Pandda Analysis Group Deposition -- ARHGEF2 and Rhoa in Complex with Z1575337975


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of ARHGEF2 Pandda Analysis Group Deposition -- ARHGEF2 and Rhoa in Complex with Z1575337975 within 5.0Å range: probe atom residue distance (Å) B Occ B:F502 b:46.4 occ:0.70 F01 B:ZC9502 0.0 46.4 0.7 C02 B:ZC9502 1.4 45.6 0.7 C03 B:ZC9502 2.4 45.5 0.7 C07 B:ZC9502 2.4 45.4 0.7 N06 B:ZC9502 3.6 45.5 0.7 C04 B:ZC9502 3.6 45.5 0.7 CD B:LYS255 3.8 35.7 1.0 C05 B:ZC9502 4.1 45.5 0.7 CG B:ARG259 4.3 37.0 1.0 CG B:LYS255 4.3 31.9 1.0 CE B:LYS255 4.5 39.4 1.0 CB B:LYS255 4.6 23.9 1.0 CD B:ARG259 5.0 45.3 1.0 NZ B:LYS255 5.0 39.3 1.0

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