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Fluorine in PDB 3c7k: Molecular Architecture of Galphao and the Structural Basis For RGS16- Mediated Deactivation

Protein crystallography data

The structure of Molecular Architecture of Galphao and the Structural Basis For RGS16- Mediated Deactivation, PDB code: 3c7k was solved by K.C.Slep, M.A.Kercher, T.Wieland, C.Chen, M.I.Simon, P.B.Sigler, 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 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 96.357, 96.357, 235.610, 90.00, 90.00, 120.00
R / Rfree (%) 25 / 31.1

Other elements in 3c7k:

The structure of Molecular Architecture of Galphao and the Structural Basis For RGS16- Mediated Deactivation also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Aluminium (Al) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Molecular Architecture of Galphao and the Structural Basis For RGS16- Mediated Deactivation (pdb code 3c7k). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the Molecular Architecture of Galphao and the Structural Basis For RGS16- Mediated Deactivation, PDB code: 3c7k:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in 3c7k

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Fluorine binding site 1 out of 8 in the Molecular Architecture of Galphao and the Structural Basis For RGS16- Mediated Deactivation


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Molecular Architecture of Galphao and the Structural Basis For RGS16- Mediated Deactivation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F365

b:15.6
occ:1.00
F1 A:ALF365 0.0 15.6 1.0
AL A:ALF365 1.8 15.8 1.0
F3 A:ALF365 2.5 15.5 1.0
F4 A:ALF365 2.5 16.9 1.0
NH2 A:ARG179 2.5 67.1 1.0
O A:HOH401 2.8 0.3 1.0
NH1 A:ARG179 2.8 64.6 1.0
O3B A:GDP361 2.8 14.5 1.0
NE2 A:GLN205 2.9 63.9 1.0
CZ A:ARG179 3.1 65.0 1.0
N A:GLU43 3.3 75.8 1.0
F2 A:ALF365 3.6 16.8 1.0
CD A:GLN205 3.7 63.4 1.0
OE1 A:GLN205 3.7 63.2 1.0
CG A:GLU43 3.9 76.9 1.0
CG A:LYS181 4.0 70.1 1.0
CA A:GLU43 4.0 76.0 1.0
PB A:GDP361 4.1 15.1 1.0
CA A:LYS181 4.2 68.2 1.0
CA A:GLY42 4.2 74.2 1.0
C A:GLY42 4.2 75.3 1.0
O2B A:GDP361 4.2 14.0 1.0
NE A:ARG179 4.4 63.4 1.0
CB A:LYS181 4.4 68.5 1.0
CD A:LYS181 4.4 68.9 1.0
CB A:GLU43 4.6 75.5 1.0
N A:THR182 4.6 68.8 1.0
MG A:MG362 4.7 18.9 1.0
O1B A:GDP361 4.8 15.3 1.0
NZ A:LYS46 4.9 69.8 1.0
OE2 A:GLU43 4.9 77.7 1.0
N A:GLY204 5.0 80.3 1.0
C A:LYS181 5.0 67.9 1.0
O3A A:GDP361 5.0 16.9 1.0

Fluorine binding site 2 out of 8 in 3c7k

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Fluorine binding site 2 out of 8 in the Molecular Architecture of Galphao and the Structural Basis For RGS16- Mediated Deactivation


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Molecular Architecture of Galphao and the Structural Basis For RGS16- Mediated Deactivation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F365

b:16.8
occ:1.00
F2 A:ALF365 0.0 16.8 1.0
AL A:ALF365 1.8 15.8 1.0
MG A:MG362 2.3 18.9 1.0
F3 A:ALF365 2.5 15.5 1.0
F4 A:ALF365 2.5 16.9 1.0
O A:HOH401 2.7 0.3 1.0
O1B A:GDP361 2.8 15.3 1.0
O A:HOH403 2.8 79.8 1.0
PB A:GDP361 3.0 15.1 1.0
O2B A:GDP361 3.0 14.0 1.0
NZ A:LYS46 3.0 69.8 1.0
CE A:LYS46 3.1 71.4 1.0
O A:VAL202 3.3 89.3 1.0
O3B A:GDP361 3.3 14.5 1.0
F1 A:ALF365 3.6 15.6 1.0
CB A:THR182 3.8 70.0 1.0
N A:GLY204 3.8 80.3 1.0
OG1 A:THR182 3.9 68.7 1.0
CA A:GLY203 4.2 84.7 1.0
N A:THR182 4.3 68.8 1.0
C A:VAL202 4.4 89.7 1.0
C A:GLY203 4.5 82.0 1.0
OG A:SER47 4.5 80.4 1.0
O A:THR182 4.5 71.6 1.0
CD A:LYS46 4.6 73.6 1.0
CA A:THR182 4.6 70.3 1.0
O3A A:GDP361 4.6 16.9 1.0
O A:HOH402 4.6 78.7 1.0
CB A:LYS46 4.7 78.6 1.0
CA A:GLY204 4.7 77.4 1.0
N A:GLY203 4.8 88.3 1.0
CG2 A:THR182 4.8 69.7 1.0
NH1 A:ARG179 4.9 64.6 1.0

Fluorine binding site 3 out of 8 in 3c7k

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Fluorine binding site 3 out of 8 in the Molecular Architecture of Galphao and the Structural Basis For RGS16- Mediated Deactivation


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Molecular Architecture of Galphao and the Structural Basis For RGS16- Mediated Deactivation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F365

b:15.5
occ:1.00
F3 A:ALF365 0.0 15.5 1.0
AL A:ALF365 1.8 15.8 1.0
F2 A:ALF365 2.5 16.8 1.0
F1 A:ALF365 2.5 15.6 1.0
NZ A:LYS46 2.7 69.8 1.0
O A:HOH401 2.7 0.3 1.0
O3B A:GDP361 2.9 14.5 1.0
N A:GLY204 3.1 80.3 1.0
CA A:GLY42 3.1 74.2 1.0
N A:GLU43 3.1 75.8 1.0
CA A:GLY204 3.3 77.4 1.0
NE2 A:GLN205 3.4 63.9 1.0
O A:ALA41 3.4 74.0 1.0
C A:GLY42 3.6 75.3 1.0
CE A:LYS46 3.6 71.4 1.0
O1B A:GDP361 3.6 15.3 1.0
F4 A:ALF365 3.6 16.9 1.0
PB A:GDP361 3.7 15.1 1.0
N A:GLY42 4.0 74.3 1.0
C A:ALA41 4.1 74.2 1.0
CD A:GLN205 4.1 63.4 1.0
OE1 A:GLN205 4.2 63.2 1.0
C A:GLY204 4.2 75.1 1.0
CA A:GLU43 4.2 76.0 1.0
C A:GLY203 4.3 82.0 1.0
N A:GLN205 4.3 72.5 1.0
O2B A:GDP361 4.4 14.0 1.0
MG A:MG362 4.6 18.9 1.0
NH1 A:ARG179 4.7 64.6 1.0
O A:GLY42 4.7 76.5 1.0
CA A:GLY203 4.8 84.7 1.0
N A:SER44 4.8 77.2 1.0
CD A:LYS46 4.9 73.6 1.0
O3A A:GDP361 5.0 16.9 1.0

Fluorine binding site 4 out of 8 in 3c7k

Go back to Fluorine Binding Sites List in 3c7k
Fluorine binding site 4 out of 8 in the Molecular Architecture of Galphao and the Structural Basis For RGS16- Mediated Deactivation


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Molecular Architecture of Galphao and the Structural Basis For RGS16- Mediated Deactivation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F365

b:16.9
occ:1.00
F4 A:ALF365 0.0 16.9 1.0
AL A:ALF365 1.8 15.8 1.0
MG A:MG362 2.5 18.9 1.0
F2 A:ALF365 2.5 16.8 1.0
F1 A:ALF365 2.5 15.6 1.0
O2B A:GDP361 2.7 14.0 1.0
N A:THR182 2.7 68.8 1.0
O A:HOH401 2.8 0.3 1.0
NH1 A:ARG179 3.1 64.6 1.0
CA A:LYS181 3.2 68.2 1.0
O3B A:GDP361 3.3 14.5 1.0
PB A:GDP361 3.4 15.1 1.0
C A:LYS181 3.4 67.9 1.0
OG1 A:THR182 3.5 68.7 1.0
NH2 A:ARG179 3.6 67.1 1.0
O A:HOH402 3.6 78.7 1.0
F3 A:ALF365 3.6 15.5 1.0
CZ A:ARG179 3.7 65.0 1.0
CB A:THR182 3.7 70.0 1.0
O A:VAL180 3.7 69.4 1.0
CA A:THR182 3.8 70.3 1.0
N A:LYS181 4.0 69.5 1.0
C A:VAL180 4.2 68.8 1.0
CB A:LYS181 4.2 68.5 1.0
CG A:LYS181 4.2 70.1 1.0
O2A A:GDP361 4.2 13.4 1.0
O1B A:GDP361 4.3 15.3 1.0
O A:THR182 4.4 71.6 1.0
O A:HOH403 4.6 79.8 1.0
O3A A:GDP361 4.6 16.9 1.0
C A:THR182 4.6 71.1 1.0
O A:LYS181 4.7 66.8 1.0
NE A:ARG179 4.8 63.4 1.0
OG A:SER47 5.0 80.4 1.0

Fluorine binding site 5 out of 8 in 3c7k

Go back to Fluorine Binding Sites List in 3c7k
Fluorine binding site 5 out of 8 in the Molecular Architecture of Galphao and the Structural Basis For RGS16- Mediated Deactivation


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Molecular Architecture of Galphao and the Structural Basis For RGS16- Mediated Deactivation within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F365

b:57.7
occ:1.00
F1 C:ALF365 0.0 57.7 1.0
AL C:ALF365 1.7 57.9 1.0
F4 C:ALF365 2.4 60.9 1.0
F3 C:ALF365 2.6 49.9 1.0
N C:THR182 2.7 75.9 1.0
O C:HOH401 2.8 0.3 1.0
O C:HOH402 2.9 78.7 1.0
MG C:MG362 3.0 71.2 1.0
NH1 C:ARG179 3.1 66.2 1.0
O3B C:GDP361 3.2 14.5 1.0
CA C:LYS181 3.3 75.9 1.0
O2B C:GDP361 3.4 14.0 1.0
O C:VAL180 3.5 74.7 1.0
C C:LYS181 3.5 75.7 1.0
F2 C:ALF365 3.5 58.8 1.0
CB C:THR182 3.5 77.2 1.0
CA C:THR182 3.6 77.8 1.0
OG1 C:THR182 3.7 76.9 1.0
CZ C:ARG179 3.8 65.4 1.0
NH2 C:ARG179 3.8 64.8 1.0
PB C:GDP361 3.9 15.1 1.0
N C:LYS181 4.1 75.3 1.0
CG C:LYS181 4.2 77.5 1.0
C C:VAL180 4.2 75.4 1.0
CB C:LYS181 4.2 76.5 1.0
O2A C:GDP361 4.2 13.4 1.0
O C:THR182 4.3 80.3 1.0
C C:THR182 4.5 78.2 1.0
O C:HOH403 4.6 79.8 1.0
O C:LYS181 4.7 75.5 1.0
NE C:ARG179 4.8 65.8 1.0
O3A C:GDP361 4.9 16.9 1.0
CG2 C:THR182 5.0 76.7 1.0
OE1 C:GLN205 5.0 68.5 1.0

Fluorine binding site 6 out of 8 in 3c7k

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Fluorine binding site 6 out of 8 in the Molecular Architecture of Galphao and the Structural Basis For RGS16- Mediated Deactivation


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Molecular Architecture of Galphao and the Structural Basis For RGS16- Mediated Deactivation within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F365

b:58.8
occ:1.00
F2 C:ALF365 0.0 58.8 1.0
AL C:ALF365 1.8 57.9 1.0
F3 C:ALF365 2.5 49.9 1.0
F4 C:ALF365 2.5 60.9 1.0
NZ C:LYS46 2.7 70.7 1.0
O C:HOH401 2.8 0.3 1.0
N C:GLY204 3.0 79.0 1.0
O3B C:GDP361 3.1 14.5 1.0
N C:GLU43 3.2 76.2 1.0
CA C:GLY204 3.2 76.5 1.0
CA C:GLY42 3.3 74.3 1.0
F1 C:ALF365 3.5 57.7 1.0
C C:GLY42 3.5 75.3 1.0
CE C:LYS46 3.7 72.3 1.0
OE1 C:GLN205 3.8 68.5 1.0
NE2 C:GLN205 3.9 70.8 1.0
PB C:GDP361 4.0 15.1 1.0
O C:ALA41 4.0 73.4 1.0
O1B C:GDP361 4.0 15.3 1.0
CA C:GLU43 4.2 76.5 1.0
C C:GLY203 4.2 81.9 1.0
CD C:GLN205 4.2 68.8 1.0
C C:GLY204 4.2 73.8 1.0
N C:GLN205 4.2 71.4 1.0
N C:GLY42 4.3 74.8 1.0
O2B C:GDP361 4.5 14.0 1.0
C C:ALA41 4.6 74.4 1.0
O C:GLY42 4.6 76.9 1.0
CA C:GLY203 4.7 84.5 1.0
NH1 C:ARG179 4.8 66.2 1.0
N C:SER44 4.9 76.6 1.0
O C:VAL202 4.9 90.0 1.0
MG C:MG362 5.0 71.2 1.0

Fluorine binding site 7 out of 8 in 3c7k

Go back to Fluorine Binding Sites List in 3c7k
Fluorine binding site 7 out of 8 in the Molecular Architecture of Galphao and the Structural Basis For RGS16- Mediated Deactivation


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Molecular Architecture of Galphao and the Structural Basis For RGS16- Mediated Deactivation within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F365

b:49.9
occ:1.00
F3 C:ALF365 0.0 49.9 1.0
AL C:ALF365 1.8 57.9 1.0
F2 C:ALF365 2.5 58.8 1.0
F1 C:ALF365 2.6 57.7 1.0
MG C:MG362 2.7 71.2 1.0
O C:HOH403 2.8 79.8 1.0
NZ C:LYS46 2.9 70.7 1.0
O C:HOH401 2.9 0.3 1.0
O2B C:GDP361 3.2 14.0 1.0
CE C:LYS46 3.2 72.3 1.0
O C:VAL202 3.3 90.0 1.0
O3B C:GDP361 3.3 14.5 1.0
PB C:GDP361 3.5 15.1 1.0
F4 C:ALF365 3.6 60.9 1.0
CB C:THR182 3.6 77.2 1.0
O1B C:GDP361 3.7 15.3 1.0
N C:GLY204 3.8 79.0 1.0
O C:THR182 4.0 80.3 1.0
OG1 C:THR182 4.2 76.9 1.0
N C:THR182 4.2 75.9 1.0
CA C:GLY203 4.2 84.5 1.0
O C:HOH402 4.3 78.7 1.0
CA C:THR182 4.4 77.8 1.0
C C:VAL202 4.4 90.3 1.0
CG2 C:THR182 4.4 76.7 1.0
C C:GLY203 4.4 81.9 1.0
CA C:GLY204 4.7 76.5 1.0
CD C:LYS46 4.7 74.4 1.0
C C:THR182 4.7 78.2 1.0
OD2 C:ASP201 4.8 99.4 1.0
N C:GLY203 4.8 88.0 1.0
CB C:LYS46 4.9 78.0 1.0
NH1 C:ARG179 5.0 66.2 1.0

Fluorine binding site 8 out of 8 in 3c7k

Go back to Fluorine Binding Sites List in 3c7k
Fluorine binding site 8 out of 8 in the Molecular Architecture of Galphao and the Structural Basis For RGS16- Mediated Deactivation


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Molecular Architecture of Galphao and the Structural Basis For RGS16- Mediated Deactivation within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F365

b:60.9
occ:1.00
F4 C:ALF365 0.0 60.9 1.0
AL C:ALF365 1.7 57.9 1.0
F1 C:ALF365 2.4 57.7 1.0
F2 C:ALF365 2.5 58.8 1.0
NH2 C:ARG179 2.6 64.8 1.0
O C:HOH401 2.8 0.3 1.0
O3B C:GDP361 2.9 14.5 1.0
NH1 C:ARG179 2.9 66.2 1.0
CZ C:ARG179 3.2 65.4 1.0
N C:GLU43 3.5 76.2 1.0
F3 C:ALF365 3.6 49.9 1.0
NE2 C:GLN205 3.6 70.8 1.0
OE1 C:GLN205 3.6 68.5 1.0
CG C:LYS181 4.0 77.5 1.0
CD C:GLN205 4.0 68.8 1.0
CA C:GLU43 4.0 76.5 1.0
CG C:GLU43 4.1 77.3 1.0
CA C:LYS181 4.2 75.9 1.0
CB C:LYS181 4.3 76.5 1.0
PB C:GDP361 4.4 15.1 1.0
N C:THR182 4.5 75.9 1.0
CD C:LYS181 4.5 77.2 1.0
C C:GLY42 4.5 75.3 1.0
NE C:ARG179 4.5 65.8 1.0
CA C:GLY42 4.6 74.3 1.0
CB C:GLU43 4.6 75.5 1.0
O2B C:GDP361 4.6 14.0 1.0
NZ C:LYS46 4.8 70.7 1.0
C C:LYS181 4.9 75.7 1.0

Reference:

K.C.Slep, M.A.Kercher, T.Wieland, C.K.Chen, M.I.Simon, P.B.Sigler. Molecular Architecture of G{Alpha}O and the Structural Basis For RGS16-Mediated Deactivation. Proc.Natl.Acad.Sci.Usa V. 105 6243 2008.
ISSN: ISSN 0027-8424
PubMed: 18434540
DOI: 10.1073/PNAS.0801569105
Page generated: Sun Dec 13 11:43:37 2020

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