Fluorine in PDB 8cnn: BEF3 Phospho-Hras Gsa Complex

All present enzymatic activity of BEF3 Phospho-Hras Gsa Complex:
3.6.5.2;

The structure of BEF3 Phospho-Hras Gsa Complex, PDB code: 8cnn was solved by P.Baumann, Y.Jin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.17 / 1.48
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	87.77, 87.77, 132.381, 90, 90, 120
R / Rfree (%)	16.4 / 18.8

The structure of BEF3 Phospho-Hras Gsa Complex also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Fluorine atom in the BEF3 Phospho-Hras Gsa Complex (pdb code 8cnn). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the BEF3 Phospho-Hras Gsa Complex, PDB code: 8cnn:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the BEF3 Phospho-Hras Gsa Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of BEF3 Phospho-Hras Gsa Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F207 b:17.3 occ:1.00 F1 A:BEF207 0.0 17.3 1.0 BE A:BEF207 1.6 19.5 1.0 MG A:MG208 2.0 16.1 1.0 F3 A:BEF207 2.6 18.6 1.0 F2 A:BEF207 2.6 18.1 1.0 O2B A:GDP206 2.7 16.3 1.0 O A:HOH315 2.8 16.0 1.0 OG1 A:THR35 2.9 16.6 1.0 O A:HOH336 2.9 15.9 1.0 N A:THR35 2.9 16.8 1.0 O3B A:GDP206 3.0 15.4 1.0 CB A:THR35 3.1 16.4 1.0 PB A:GDP206 3.4 16.6 1.0 O A:HOH368 3.6 19.7 1.0 CA A:THR35 3.6 16.9 1.0 C A:PRO34 3.9 17.3 1.0 CA A:PRO34 4.0 16.6 1.0 OG A:SER17 4.0 16.5 1.0 O A:THR58 4.2 17.3 1.0 O A:THR35 4.3 17.6 1.0 O1B A:GDP206 4.4 15.1 1.0 NZ A:LYS16 4.4 16.5 1.0 C A:THR35 4.5 17.7 1.0 CG2 A:THR35 4.5 17.0 1.0 O A:ASP33 4.5 17.8 1.0 O3A A:GDP206 4.5 15.4 1.0 N A:GLY60 4.6 17.6 1.0 CE A:LYS16 4.6 16.6 1.0 CE1 A:TYR32 4.7 17.8 1.0 CA A:ALA59 4.9 18.6 1.0 O2A A:GDP206 4.9 16.9 1.0 OH A:TYR32 4.9 20.6 1.0 O A:HOH316 4.9 17.4 1.0 CB A:PRO34 4.9 18.2 1.0

Fluorine binding site 2 out of 3 in the BEF3 Phospho-Hras Gsa Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of BEF3 Phospho-Hras Gsa Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F207 b:18.1 occ:1.00 F2 A:BEF207 0.0 18.1 1.0 BE A:BEF207 1.6 19.5 1.0 NZ A:LYS16 2.6 16.5 1.0 F1 A:BEF207 2.6 17.3 1.0 F3 A:BEF207 2.6 18.6 1.0 O2B A:GDP206 2.7 16.3 1.0 N A:GLY60 2.7 17.6 1.0 CA A:GLY60 3.2 18.1 1.0 O A:HOH368 3.4 19.7 1.0 CE A:LYS16 3.4 16.6 1.0 CA A:GLY12 3.4 16.3 1.0 PB A:GDP206 3.6 16.6 1.0 O1B A:GDP206 3.8 15.1 1.0 C A:ALA59 3.8 18.7 1.0 N A:GLN61 3.8 20.6 1.0 C A:GLY60 3.9 19.8 1.0 O A:HOH315 4.0 16.0 1.0 N A:GLY13 4.0 16.1 1.0 O3B A:GDP206 4.1 15.4 1.0 N A:GLY12 4.1 17.6 1.0 O A:ALA11 4.1 16.9 1.0 O A:THR58 4.1 17.3 1.0 MG A:MG208 4.1 16.1 1.0 CA A:ALA59 4.3 18.6 1.0 C A:GLY12 4.3 18.0 1.0 C A:ALA11 4.3 16.4 1.0 O A:GLY10 4.5 16.8 1.0 OH A:TYR32 4.6 20.6 1.0 CD A:LYS16 4.8 16.4 1.0 O A:ALA59 4.9 19.4 1.0 CG A:GLN61 4.9 23.1 1.0 O A:GLY60 4.9 21.5 1.0 N A:THR35 5.0 16.8 1.0 O3A A:GDP206 5.0 15.4 1.0

Fluorine binding site 3 out of 3 in the BEF3 Phospho-Hras Gsa Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of BEF3 Phospho-Hras Gsa Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F207 b:18.6 occ:1.00 F3 A:BEF207 0.0 18.6 1.0 BE A:BEF207 1.6 19.5 1.0 OH A:TYR32 2.5 20.6 1.0 F1 A:BEF207 2.6 17.3 1.0 F2 A:BEF207 2.6 18.1 1.0 O2B A:GDP206 2.7 16.3 1.0 O A:HOH368 2.9 19.7 1.0 CZ A:TYR32 3.3 21.1 1.0 CE1 A:TYR32 3.3 17.8 1.0 CA A:PRO34 3.4 16.6 1.0 CG A:GLN61 3.6 23.1 1.0 CB A:PRO34 3.7 18.2 1.0 N A:THR35 3.8 16.8 1.0 N A:GLY13 4.0 16.1 1.0 CA A:GLY12 4.0 16.3 1.0 PB A:GDP206 4.1 16.6 1.0 C A:PRO34 4.2 17.3 1.0 CG A:PRO34 4.3 20.2 1.0 O A:HOH336 4.3 15.9 1.0 MG A:MG208 4.3 16.1 1.0 N A:GLN61 4.4 20.6 1.0 N A:PRO34 4.4 18.4 1.0 CB A:GLN61 4.5 23.0 1.0 NE2 A:GLN61 4.5 27.6 1.0 C A:GLY12 4.5 18.0 1.0 CD A:GLN61 4.6 29.9 1.0 CD1 A:TYR32 4.6 19.8 1.0 CE2 A:TYR32 4.6 22.3 1.0 N A:GLY60 4.6 17.6 1.0 O3B A:GDP206 4.6 15.4 1.0 O3A A:GDP206 4.9 15.4 1.0 CA A:GLY13 4.9 16.6 1.0 O A:THR35 5.0 17.6 1.0

P.Baumann, Y.Jin. BEF3 Phospho-Hras Gsa Complex To Be Published.