Fluorine in PDB 7g8f: ARHGEF2 Pandda Analysis Group Deposition -- ARHGEF2 and Rhoa in Complex with Z1079168976

All present enzymatic activity of ARHGEF2 Pandda Analysis Group Deposition -- ARHGEF2 and Rhoa in Complex with Z1079168976:
3.6.5.2;

The structure of ARHGEF2 Pandda Analysis Group Deposition -- ARHGEF2 and Rhoa in Complex with Z1079168976, PDB code: 7g8f 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)	20.52 / 1.42
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	71.402, 71.402, 196.945, 90, 90, 90
R / Rfree (%)	19.2 / 21.5

The binding sites of Fluorine atom in the ARHGEF2 Pandda Analysis Group Deposition -- ARHGEF2 and Rhoa in Complex with Z1079168976 (pdb code 7g8f). 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 Z1079168976, PDB code: 7g8f:
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 Z1079168976


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 Z1079168976 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:47.2 occ:0.70 F01 A:YXK201 0.0 47.2 0.7 C02 A:YXK201 1.4 46.8 0.7 F04 A:YXK201 2.2 47.3 0.7 F03 A:YXK201 2.2 47.5 0.7 C05 A:YXK201 2.4 45.0 0.7 N06 A:YXK201 2.9 43.4 0.7 C11 A:YXK201 3.2 41.6 0.7 C10 A:YXK201 3.2 42.6 0.7 O A:HOH435 3.2 45.2 1.0 C07 A:YXK201 3.9 43.0 0.7 N09 A:YXK201 4.3 42.8 0.7 C08 A:YXK201 4.6 43.1 0.7 C12 A:YXK201 4.7 40.6 0.7 O B:HOH872 4.9 47.4 1.0 CG A:PRO108 5.0 26.6 1.0 O A:HOH399 5.0 31.5 1.0

Fluorine binding site 2 out of 3 in the ARHGEF2 Pandda Analysis Group Deposition -- ARHGEF2 and Rhoa in Complex with Z1079168976


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 Z1079168976 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:47.5 occ:0.70 F03 A:YXK201 0.0 47.5 0.7 C02 A:YXK201 1.4 46.8 0.7 F04 A:YXK201 2.2 47.3 0.7 F01 A:YXK201 2.2 47.2 0.7 C05 A:YXK201 2.4 45.0 0.7 N06 A:YXK201 2.9 43.4 0.7 C07 A:YXK201 3.2 43.0 0.7 C10 A:YXK201 3.9 42.6 0.7 O A:HOH314 4.0 39.6 1.0 C08 A:YXK201 4.4 43.1 0.7 CG A:PRO108 4.6 26.6 1.0 C11 A:YXK201 4.6 41.6 0.7 N09 A:YXK201 4.7 42.8 0.7 O A:HIS105 4.8 25.4 1.0 O A:HOH435 4.8 45.2 1.0

Fluorine binding site 3 out of 3 in the ARHGEF2 Pandda Analysis Group Deposition -- ARHGEF2 and Rhoa in Complex with Z1079168976


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 Z1079168976 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:47.3 occ:0.70 F04 A:YXK201 0.0 47.3 0.7 C02 A:YXK201 1.4 46.8 0.7 F03 A:YXK201 2.2 47.5 0.7 F01 A:YXK201 2.2 47.2 0.7 C05 A:YXK201 2.4 45.0 0.7 CG A:PRO108 3.0 26.6 1.0 O A:HOH435 3.2 45.2 1.0 CD A:PRO108 3.6 25.0 1.0 N06 A:YXK201 3.7 43.4 0.7 CB A:PRO108 4.3 26.3 1.0 O A:HOH314 4.5 39.6 1.0 C10 A:YXK201 4.5 42.6 0.7 C07 A:YXK201 4.6 43.0 0.7 C11 A:YXK201 4.6 41.6 0.7 O A:HOH397 4.8 32.2 1.0 N A:PRO108 5.0 24.6 1.0 O A:HIS105 5.0 25.4 1.0

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