Fluorine in PDB 3d7m: Crystal Structure of the G Protein Fast-Exchange Double Mutant I56C/Q333C

The structure of Crystal Structure of the G Protein Fast-Exchange Double Mutant I56C/Q333C, PDB code: 3d7m was solved by M.A.Funk, A.M.Preininger, W.M.Oldham, S.M.Meier, H.E.Hamm, T.M.Iverson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.90
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.659, 79.659, 114.587, 90.00, 90.00, 90.00
R / Rfree (%)	24.9 / 29.4

The structure of Crystal Structure of the G Protein Fast-Exchange Double Mutant I56C/Q333C also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Aluminium	(Al)	1 atom

The binding sites of Fluorine atom in the Crystal Structure of the G Protein Fast-Exchange Double Mutant I56C/Q333C (pdb code 3d7m). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of the G Protein Fast-Exchange Double Mutant I56C/Q333C, PDB code: 3d7m:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Crystal Structure of the G Protein Fast-Exchange Double Mutant I56C/Q333C


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of the G Protein Fast-Exchange Double Mutant I56C/Q333C within 5.0Å range: probe atom residue distance (Å) B Occ A:F357 b:95.9 occ:1.00 F1 A:ALF357 0.0 95.9 1.0 AL A:ALF357 1.7 95.6 1.0 F2 A:ALF357 2.4 94.7 1.0 F4 A:ALF357 2.5 97.0 1.0 NE2 A:GLN204 2.6 0.1 1.0 O3B A:GDP355 2.9 70.9 1.0 NH2 A:ARG178 3.0 64.8 1.0 N A:GLU43 3.1 74.0 1.0 F3 A:ALF357 3.4 95.8 1.0 CA A:GLY42 3.5 73.8 1.0 C A:GLY42 3.7 74.4 1.0 CD A:GLN204 3.8 0.2 1.0 NH1 A:ARG178 3.9 64.1 1.0 CZ A:ARG178 3.9 64.6 1.0 CG A:GLN204 4.2 0.2 1.0 CA A:GLU43 4.2 73.2 1.0 CG A:GLU43 4.2 72.8 1.0 PB A:GDP355 4.3 69.3 1.0 N A:GLY42 4.8 74.6 1.0 CB A:GLU43 4.8 72.3 1.0 O3A A:GDP355 4.8 66.7 1.0 OE1 A:GLN204 4.8 0.7 1.0 CG A:LYS180 4.8 81.4 1.0 O A:ALA41 4.9 77.8 1.0 N A:GLY203 4.9 0.2 1.0 NZ A:LYS46 4.9 64.8 1.0 N A:THR181 4.9 81.7 1.0 O A:GLY42 4.9 77.4 1.0 O A:GLY203 4.9 0.3 1.0

Fluorine binding site 2 out of 4 in the Crystal Structure of the G Protein Fast-Exchange Double Mutant I56C/Q333C


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of the G Protein Fast-Exchange Double Mutant I56C/Q333C within 5.0Å range: probe atom residue distance (Å) B Occ A:F357 b:94.7 occ:1.00 F2 A:ALF357 0.0 94.7 1.0 AL A:ALF357 1.7 95.6 1.0 F1 A:ALF357 2.4 95.9 1.0 F3 A:ALF357 2.4 95.8 1.0 NH2 A:ARG178 2.7 64.8 1.0 N A:THR181 2.9 81.7 1.0 NH1 A:ARG178 2.9 64.1 1.0 CZ A:ARG178 3.1 64.6 1.0 O3B A:GDP355 3.1 70.9 1.0 O A:HOH412 3.1 65.5 1.0 CA A:LYS180 3.3 79.5 1.0 F4 A:ALF357 3.5 97.0 1.0 C A:LYS180 3.5 79.9 1.0 MG A:MG356 3.6 54.7 1.0 O A:VAL179 3.7 76.3 1.0 O2B A:GDP355 3.9 72.0 1.0 PB A:GDP355 3.9 69.3 1.0 CA A:THR181 4.0 85.0 1.0 CB A:THR181 4.0 84.0 1.0 CG A:LYS180 4.2 81.4 1.0 OG1 A:THR181 4.2 84.8 1.0 CB A:LYS180 4.2 80.8 1.0 N A:LYS180 4.2 77.8 1.0 O3A A:GDP355 4.3 66.7 1.0 NE A:ARG178 4.3 63.6 1.0 NE2 A:GLN204 4.3 0.1 1.0 O A:THR181 4.3 89.8 1.0 C A:VAL179 4.4 75.7 1.0 C A:THR181 4.7 88.0 1.0 O A:LYS180 4.7 80.8 1.0 N A:GLU43 4.8 74.0 1.0 O2A A:GDP355 4.8 65.7 1.0

Fluorine binding site 3 out of 4 in the Crystal Structure of the G Protein Fast-Exchange Double Mutant I56C/Q333C


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of the G Protein Fast-Exchange Double Mutant I56C/Q333C within 5.0Å range: probe atom residue distance (Å) B Occ A:F357 b:95.8 occ:1.00 F3 A:ALF357 0.0 95.8 1.0 AL A:ALF357 1.7 95.6 1.0 MG A:MG356 2.1 54.7 1.0 F2 A:ALF357 2.4 94.7 1.0 F4 A:ALF357 2.4 97.0 1.0 O3B A:GDP355 2.9 70.9 1.0 CB A:THR181 3.0 84.0 1.0 O2B A:GDP355 3.1 72.0 1.0 OG1 A:THR181 3.4 84.8 1.0 PB A:GDP355 3.4 69.3 1.0 F1 A:ALF357 3.4 95.9 1.0 N A:THR181 3.5 81.7 1.0 O A:HOH412 3.6 65.5 1.0 CA A:THR181 3.8 85.0 1.0 CA A:GLY202 3.8 0.9 1.0 NZ A:LYS46 3.8 64.8 1.0 CG2 A:THR181 4.0 83.0 1.0 O A:THR181 4.0 89.8 1.0 N A:GLY203 4.0 0.2 1.0 OG A:SER47 4.1 75.7 1.0 CE A:LYS46 4.1 67.1 1.0 O A:VAL201 4.1 97.2 1.0 C A:THR181 4.3 88.0 1.0 O1B A:GDP355 4.4 68.7 1.0 C A:GLY202 4.4 0.4 1.0 O3A A:GDP355 4.6 66.7 1.0 N A:GLY202 4.7 99.8 1.0 NH1 A:ARG178 4.7 64.1 1.0 C A:LYS180 4.7 79.9 1.0 C A:VAL201 4.7 98.0 1.0

Fluorine binding site 4 out of 4 in the Crystal Structure of the G Protein Fast-Exchange Double Mutant I56C/Q333C


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of the G Protein Fast-Exchange Double Mutant I56C/Q333C within 5.0Å range: probe atom residue distance (Å) B Occ A:F357 b:97.0 occ:1.00 F4 A:ALF357 0.0 97.0 1.0 AL A:ALF357 1.8 95.6 1.0 F3 A:ALF357 2.4 95.8 1.0 F1 A:ALF357 2.5 95.9 1.0 N A:GLY203 2.6 0.2 1.0 O3B A:GDP355 2.7 70.9 1.0 NZ A:LYS46 2.8 64.8 1.0 CA A:GLY203 3.4 0.6 1.0 F2 A:ALF357 3.5 94.7 1.0 CE A:LYS46 3.6 67.1 1.0 C A:GLY202 3.7 0.4 1.0 O A:ALA41 3.7 77.8 1.0 CA A:GLY42 3.7 73.8 1.0 C A:GLY203 3.8 0.2 1.0 O A:GLY203 3.8 0.3 1.0 PB A:GDP355 3.9 69.3 1.0 CA A:GLY202 3.9 0.9 1.0 N A:GLU43 4.0 74.0 1.0 NE2 A:GLN204 4.1 0.1 1.0 C A:ALA41 4.3 76.4 1.0 MG A:MG356 4.3 54.7 1.0 C A:GLY42 4.3 74.4 1.0 CG A:GLN204 4.4 0.2 1.0 O2B A:GDP355 4.4 72.0 1.0 O1B A:GDP355 4.4 68.7 1.0 N A:GLY42 4.4 74.6 1.0 O A:VAL201 4.6 97.2 1.0 CD A:GLN204 4.6 0.2 1.0 N A:GLN204 4.7 0.5 1.0 O A:GLY202 4.8 0.6 1.0

A.M.Preininger, M.A.Funk, W.M.Oldham, S.M.Meier, C.A.Johnston, S.Adhikary, A.J.Kimple, D.P.Siderovski, H.E.Hamm, T.M.Iverson. Helix Dipole Movement and Conformational Variability Contribute to Allosteric Gdp Release in Galphai Subunits. Biochemistry V. 48 2630 2009.
ISSN: ISSN 0006-2960
PubMed: 19222191
DOI: 10.1021/BI801853A