Fluorine in PDB 8bos: Transition State Analogue Complex of Small G Protein and Its Gap Effector

All present enzymatic activity of Transition State Analogue Complex of Small G Protein and Its Gap Effector:
3.6.5.2;

The structure of Transition State Analogue Complex of Small G Protein and Its Gap Effector, PDB code: 8bos 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)	84.66 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	71.832, 41.558, 89.674, 90, 109.25, 90
R / Rfree (%)	19.8 / 28

The structure of Transition State Analogue Complex of Small G Protein and Its Gap Effector also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Fluorine atom in the Transition State Analogue Complex of Small G Protein and Its Gap Effector (pdb code 8bos). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Transition State Analogue Complex of Small G Protein and Its Gap Effector, PDB code: 8bos:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Transition State Analogue Complex of Small G Protein and Its Gap Effector


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Transition State Analogue Complex of Small G Protein and Its Gap Effector within 5.0Å range: probe atom residue distance (Å) B Occ R:F202 b:25.2 occ:1.00 F1 R:MGF202 0.0 25.2 1.0 MG R:MGF202 2.0 25.5 1.0 NH1 G:ARG789 2.1 29.1 1.0 NE2 R:GLN61 2.5 28.3 1.0 O3B R:GDP201 2.7 29.3 1.0 O R:HOH311 2.8 18.2 1.0 CG G:ARG789 3.0 35.4 1.0 CD G:ARG789 3.1 30.8 1.0 CZ G:ARG789 3.2 32.1 1.0 F3 R:MGF202 3.5 24.1 1.0 F2 R:MGF202 3.5 23.0 1.0 N R:GLY13 3.5 28.0 1.0 CA R:GLY12 3.5 30.8 1.0 CD R:GLN61 3.5 26.6 1.0 NE G:ARG789 3.5 31.6 1.0 OE1 R:GLN61 3.8 28.2 1.0 C R:GLY12 3.9 29.3 1.0 CB R:PRO34 3.9 27.1 1.0 CA R:PRO34 4.2 28.2 1.0 PB R:GDP201 4.2 29.7 1.0 NH2 G:ARG789 4.3 35.1 1.0 O G:ARG789 4.4 29.8 1.0 CA R:GLY13 4.4 27.4 1.0 CB G:ARG789 4.5 34.0 1.0 CG R:PRO34 4.6 29.0 1.0 N R:THR35 4.6 24.9 1.0 CG R:GLN61 4.9 24.8 1.0 O R:GLY12 4.9 25.5 1.0 N R:GLY12 4.9 30.8 1.0 O3A R:GDP201 4.9 27.2 1.0 CA G:ARG789 4.9 33.2 1.0 O1B R:GDP201 5.0 26.0 1.0 C R:PRO34 5.0 28.5 1.0

Fluorine binding site 2 out of 3 in the Transition State Analogue Complex of Small G Protein and Its Gap Effector


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Transition State Analogue Complex of Small G Protein and Its Gap Effector within 5.0Å range: probe atom residue distance (Å) B Occ R:F202 b:23.0 occ:1.00 F2 R:MGF202 0.0 23.0 1.0 MG R:MG203 1.9 31.6 1.0 MG R:MGF202 1.9 25.5 1.0 O R:HOH302 2.4 29.5 1.0 OG1 R:THR35 2.5 22.6 1.0 O R:HOH307 2.7 24.4 1.0 O3B R:GDP201 2.7 29.3 1.0 O R:HOH311 2.7 18.2 1.0 N R:THR35 2.8 24.9 1.0 O1B R:GDP201 2.9 26.0 1.0 CB R:THR35 2.9 24.4 1.0 F3 R:MGF202 3.3 24.1 1.0 PB R:GDP201 3.4 29.7 1.0 CA R:THR35 3.4 25.3 1.0 F1 R:MGF202 3.5 25.2 1.0 NH1 G:ARG789 3.5 29.1 1.0 C R:PRO34 3.8 28.5 1.0 OG R:SER17 3.8 34.6 1.0 CA R:PRO34 3.9 28.2 1.0 O R:THR58 3.9 36.4 1.0 O R:THR35 4.1 26.7 1.0 C R:THR35 4.2 26.3 1.0 CG2 R:THR35 4.4 24.8 1.0 O2B R:GDP201 4.5 25.5 1.0 O3A R:GDP201 4.5 27.2 1.0 O1A R:GDP201 4.5 30.9 1.0 O R:ASP33 4.6 32.5 1.0 NZ R:LYS16 4.6 25.2 1.0 CB R:PRO34 4.7 27.1 1.0 CZ G:ARG789 4.8 32.1 1.0 OD1 R:ASP57 4.8 38.5 1.0 CA R:ALA59 4.8 30.3 1.0 C R:THR58 4.9 33.5 1.0 CE R:LYS16 4.9 25.2 1.0 O R:PRO34 4.9 28.4 1.0

Fluorine binding site 3 out of 3 in the Transition State Analogue Complex of Small G Protein and Its Gap Effector


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Transition State Analogue Complex of Small G Protein and Its Gap Effector within 5.0Å range: probe atom residue distance (Å) B Occ R:F202 b:24.1 occ:1.00 F3 R:MGF202 0.0 24.1 1.0 MG R:MGF202 2.0 25.5 1.0 NZ R:LYS16 2.5 25.2 1.0 N R:GLY60 2.7 28.5 1.0 O R:HOH311 3.0 18.2 1.0 O3B R:GDP201 3.1 29.3 1.0 CE R:LYS16 3.2 25.2 1.0 F2 R:MGF202 3.3 23.0 1.0 F1 R:MGF202 3.5 25.2 1.0 O R:THR58 3.5 36.4 1.0 CA R:ALA59 3.5 30.3 1.0 CA R:GLY60 3.5 28.3 1.0 C R:ALA59 3.5 28.3 1.0 CA R:GLY12 3.5 30.8 1.0 O R:HOH302 3.6 29.5 1.0 O R:ALA11 3.9 29.4 1.0 OE1 R:GLN61 4.0 28.2 1.0 PB R:GDP201 4.1 29.7 1.0 N R:GLY12 4.1 30.8 1.0 O2B R:GDP201 4.1 25.5 1.0 NE2 R:GLN61 4.2 28.3 1.0 C R:ALA11 4.2 31.5 1.0 C R:THR58 4.3 33.5 1.0 N R:ALA59 4.3 32.6 1.0 O R:GLY10 4.3 39.8 1.0 C R:GLY60 4.4 30.1 1.0 CD R:GLN61 4.4 26.6 1.0 N R:GLY13 4.4 28.0 1.0 C R:GLY12 4.5 29.3 1.0 N R:GLN61 4.6 29.8 1.0 O1B R:GDP201 4.6 26.0 1.0 CB R:ALA59 4.6 29.4 1.0 MG R:MG203 4.6 31.6 1.0 CD R:LYS16 4.6 25.7 1.0 O R:ALA59 4.7 26.8 1.0 NH1 G:ARG789 5.0 29.1 1.0

P.Baumann, Y.Jin. A Small G Protein with MGF3 Tsa Complex To Be Published.