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Fluorine in PDB 2ode: Crystal Structure of the Heterodimeric Complex of Human RGS8 and Activated Gi Alpha 3

Protein crystallography data

The structure of Crystal Structure of the Heterodimeric Complex of Human RGS8 and Activated Gi Alpha 3, PDB code: 2ode was solved by C.Gileadi, M.Soundararajan, A.P.Turnbull, J.M.Elkins, E.Papagrigoriou, A.C.W.Pike, G.Bunkoczi, F.Gorrec, C.Umeano, F.Von Delft, J.Weigelt, A.Edwards, C.H.Arrowsmith, M.Sundstrom, D.A.Doyle, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.40 / 1.90
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 112.837, 130.216, 68.519, 90.00, 90.00, 90.00
R / Rfree (%) 18 / 21.1

Other elements in 2ode:

The structure of Crystal Structure of the Heterodimeric Complex of Human RGS8 and Activated Gi Alpha 3 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 Crystal Structure of the Heterodimeric Complex of Human RGS8 and Activated Gi Alpha 3 (pdb code 2ode). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the Crystal Structure of the Heterodimeric Complex of Human RGS8 and Activated Gi Alpha 3, PDB code: 2ode:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in 2ode

Go back to Fluorine Binding Sites List in 2ode
Fluorine binding site 1 out of 8 in the Crystal Structure of the Heterodimeric Complex of Human RGS8 and Activated Gi Alpha 3


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 Heterodimeric Complex of Human RGS8 and Activated Gi Alpha 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F2001

b:22.5
occ:1.00
 F1 A:ALF2001 0.0 22.5 1.0
AL A:ALF2001 1.8 20.4 1.0
F4 A:ALF2001 2.5 21.4 1.0
O A:HOH3236 2.6 18.5 1.0
F3 A:ALF2001 2.6 22.2 1.0
O2B A:GDP1001 2.6 18.8 1.0
N A:GLY203 2.7 32.1 1.0
NZ A:LYS46 2.8 32.2 1.0
CA A:GLY203 3.2 32.1 1.0
CA A:GLY42 3.3 33.8 1.0
CE A:LYS46 3.4 31.7 1.0
F2 A:ALF2001 3.6 23.9 1.0
PB A:GDP1001 3.7 19.4 1.0
O3B A:GDP1001 3.7 21.2 1.0
N A:GLU43 3.7 34.3 1.0
C A:GLY202 3.8 32.5 1.0
O A:ALA41 4.0 33.4 1.0
N A:GLY42 4.0 33.3 1.0
C A:GLY42 4.0 33.9 1.0
OE1 A:GLN204 4.1 32.5 1.0
CA A:GLY202 4.1 32.7 1.0
C A:GLY203 4.1 32.6 1.0
NE2 A:GLN204 4.2 30.5 1.0
C A:ALA41 4.3 32.5 1.0
O1B A:GDP1001 4.3 22.3 1.0
O A:VAL201 4.3 32.8 1.0
N A:GLN204 4.3 32.4 1.0
MG A:MG3001 4.4 20.2 1.0
CD A:GLN204 4.5 29.9 1.0
O A:HOH3229 4.5 23.1 1.0
O A:GLY40 4.8 33.2 1.0
O A:GLY202 4.8 32.3 1.0
CD A:LYS46 4.9 31.8 1.0
CA A:GLU43 4.9 35.3 1.0

Fluorine binding site 2 out of 8 in 2ode

Go back to Fluorine Binding Sites List in 2ode
Fluorine binding site 2 out of 8 in the Crystal Structure of the Heterodimeric Complex of Human RGS8 and Activated Gi Alpha 3


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 Heterodimeric Complex of Human RGS8 and Activated Gi Alpha 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F2001

b:23.9
occ:1.00
 F2 A:ALF2001 0.0 23.9 1.0
AL A:ALF2001 1.8 20.4 1.0
F3 A:ALF2001 2.3 22.2 1.0
F4 A:ALF2001 2.5 21.4 1.0
N A:THR181 2.7 32.4 1.0
NH1 A:ARG178 2.7 34.5 1.0
O A:HOH3236 2.8 18.5 1.0
O2B A:GDP1001 2.8 18.8 1.0
O A:HOH3231 2.9 19.9 1.0
CA A:LYS180 3.1 33.0 1.0
NH2 A:ARG178 3.1 36.0 1.0
CZ A:ARG178 3.3 36.6 1.0
MG A:MG3001 3.4 20.2 1.0
C A:LYS180 3.4 32.7 1.0
F1 A:ALF2001 3.6 22.5 1.0
CG A:LYS180 3.7 34.2 1.0
O A:VAL179 3.8 32.6 1.0
OG1 A:THR181 3.8 31.0 1.0
CB A:LYS180 3.8 32.8 1.0
CA A:THR181 3.9 33.0 1.0
PB A:GDP1001 3.9 19.4 1.0
O1B A:GDP1001 4.0 22.3 1.0
CB A:THR181 4.0 33.6 1.0
N A:LYS180 4.1 33.2 1.0
O A:THR181 4.3 32.6 1.0
C A:VAL179 4.3 32.8 1.0
O1A A:GDP1001 4.4 19.4 1.0
NE A:ARG178 4.5 35.1 1.0
C A:THR181 4.6 32.1 1.0
O A:LYS180 4.6 31.6 1.0
O3A A:GDP1001 4.7 20.1 1.0
CD A:LYS180 4.7 35.6 1.0
NE2 A:GLN204 4.7 30.5 1.0
OE1 A:GLN204 4.8 32.5 1.0
N A:GLU43 4.9 34.3 1.0
O A:HOH3229 4.9 23.1 1.0

Fluorine binding site 3 out of 8 in 2ode

Go back to Fluorine Binding Sites List in 2ode
Fluorine binding site 3 out of 8 in the Crystal Structure of the Heterodimeric Complex of Human RGS8 and Activated Gi Alpha 3


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 Heterodimeric Complex of Human RGS8 and Activated Gi Alpha 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F2001

b:22.2
occ:1.00
 F3 A:ALF2001 0.0 22.2 1.0
AL A:ALF2001 1.8 20.4 1.0
MG A:MG3001 2.0 20.2 1.0
F2 A:ALF2001 2.3 23.9 1.0
O2B A:GDP1001 2.6 18.8 1.0
F1 A:ALF2001 2.6 22.5 1.0
O A:HOH3236 2.7 18.5 1.0
O A:HOH3229 2.7 23.1 1.0
O1B A:GDP1001 2.9 22.3 1.0
OG1 A:THR181 2.9 31.0 1.0
CB A:THR181 3.1 33.6 1.0
O A:HOH3231 3.2 19.9 1.0
PB A:GDP1001 3.2 19.4 1.0
N A:THR181 3.5 32.4 1.0
F4 A:ALF2001 3.5 21.4 1.0
O A:VAL201 3.8 32.8 1.0
CA A:THR181 3.8 33.0 1.0
OG A:SER47 4.0 31.8 1.0
O3B A:GDP1001 4.1 21.2 1.0
O A:THR181 4.1 32.6 1.0
CE A:LYS46 4.1 31.7 1.0
NZ A:LYS46 4.2 32.2 1.0
CA A:GLY202 4.2 32.7 1.0
CG2 A:THR181 4.3 34.3 1.0
N A:GLY203 4.4 32.1 1.0
C A:THR181 4.4 32.1 1.0
NH1 A:ARG178 4.6 34.5 1.0
O3A A:GDP1001 4.6 20.1 1.0
C A:VAL201 4.7 32.1 1.0
C A:LYS180 4.7 32.7 1.0
C A:GLY202 4.8 32.5 1.0
N A:GLY202 4.9 32.3 1.0
CA A:LYS180 5.0 33.0 1.0

Fluorine binding site 4 out of 8 in 2ode

Go back to Fluorine Binding Sites List in 2ode
Fluorine binding site 4 out of 8 in the Crystal Structure of the Heterodimeric Complex of Human RGS8 and Activated Gi Alpha 3


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 Heterodimeric Complex of Human RGS8 and Activated Gi Alpha 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F2001

b:21.4
occ:1.00
 F4 A:ALF2001 0.0 21.4 1.0
AL A:ALF2001 1.8 20.4 1.0
F1 A:ALF2001 2.5 22.5 1.0
F2 A:ALF2001 2.5 23.9 1.0
O2B A:GDP1001 2.7 18.8 1.0
NE2 A:GLN204 2.7 30.5 1.0
O A:HOH3236 2.7 18.5 1.0
NH2 A:ARG178 2.9 36.0 1.0
N A:GLU43 3.0 34.3 1.0
CA A:GLY42 3.3 33.8 1.0
CD A:GLN204 3.5 29.9 1.0
F3 A:ALF2001 3.5 22.2 1.0
OE1 A:GLN204 3.5 32.5 1.0
C A:GLY42 3.6 33.9 1.0
NH1 A:ARG178 3.6 34.5 1.0
CZ A:ARG178 3.6 36.6 1.0
CA A:GLU43 4.0 35.3 1.0
CG A:GLU43 4.0 38.5 1.0
PB A:GDP1001 4.2 19.4 1.0
CG A:LYS180 4.3 34.2 1.0
O A:HOH3031 4.5 26.7 1.0
CD A:LYS180 4.6 35.6 1.0
N A:GLY42 4.6 33.3 1.0
N A:GLY203 4.6 32.1 1.0
CB A:GLU43 4.6 35.6 1.0
O3B A:GDP1001 4.8 21.2 1.0
O A:GLY42 4.8 33.6 1.0
O3A A:GDP1001 4.9 20.1 1.0
N A:THR181 4.9 32.4 1.0
NE A:ARG178 4.9 35.1 1.0
CG A:GLN204 4.9 29.6 1.0
CA A:LYS180 4.9 33.0 1.0
NZ A:LYS46 5.0 32.2 1.0
O1B A:GDP1001 5.0 22.3 1.0

Fluorine binding site 5 out of 8 in 2ode

Go back to Fluorine Binding Sites List in 2ode
Fluorine binding site 5 out of 8 in the Crystal Structure of the Heterodimeric Complex of Human RGS8 and Activated Gi Alpha 3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of the Heterodimeric Complex of Human RGS8 and Activated Gi Alpha 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F2002

b:24.6
occ:1.00
 F1 C:ALF2002 0.0 24.6 1.0
AL C:ALF2002 1.8 23.9 1.0
MG C:MG3002 2.0 24.7 1.0
F4 C:ALF2002 2.4 27.4 1.0
F3 C:ALF2002 2.6 22.0 1.0
O C:HOH3194 2.6 18.7 1.0
O2B C:GDP1002 2.7 22.0 1.0
O C:HOH3190 2.7 21.4 1.0
O1B C:GDP1002 2.9 19.8 1.0
OG1 C:THR181 3.0 32.1 1.0
CB C:THR181 3.1 31.3 1.0
PB C:GDP1002 3.3 21.2 1.0
O C:HOH3187 3.4 22.7 1.0
F2 C:ALF2002 3.5 22.9 1.0
N C:THR181 3.6 30.3 1.0
O C:VAL201 3.7 31.0 1.0
CA C:THR181 3.8 31.6 1.0
CA C:GLY202 4.0 32.2 1.0
O C:THR181 4.0 32.2 1.0
NZ C:LYS46 4.1 32.0 1.0
CE C:LYS46 4.1 32.5 1.0
O3B C:GDP1002 4.1 20.3 1.0
OG C:SER47 4.1 30.8 1.0
N C:GLY203 4.3 32.7 1.0
CG2 C:THR181 4.3 32.0 1.0
C C:THR181 4.4 31.1 1.0
C C:VAL201 4.5 31.1 1.0
NH1 C:ARG178 4.6 33.1 1.0
C C:GLY202 4.7 33.0 1.0
N C:GLY202 4.7 31.8 1.0
O3A C:GDP1002 4.7 18.9 1.0
C C:LYS180 4.8 29.6 1.0

Fluorine binding site 6 out of 8 in 2ode

Go back to Fluorine Binding Sites List in 2ode
Fluorine binding site 6 out of 8 in the Crystal Structure of the Heterodimeric Complex of Human RGS8 and Activated Gi Alpha 3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of the Heterodimeric Complex of Human RGS8 and Activated Gi Alpha 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F2002

b:22.9
occ:1.00
 F2 C:ALF2002 0.0 22.9 1.0
AL C:ALF2002 1.8 23.9 1.0
F4 C:ALF2002 2.5 27.4 1.0
F3 C:ALF2002 2.6 22.0 1.0
O2B C:GDP1002 2.6 22.0 1.0
NE2 C:GLN204 2.7 31.5 1.0
O C:HOH3194 2.8 18.7 1.0
NH2 C:ARG178 2.9 32.0 1.0
N C:GLU43 3.0 33.7 1.0
CA C:GLY42 3.3 34.0 1.0
NH1 C:ARG178 3.5 33.1 1.0
CD C:GLN204 3.5 30.6 1.0
F1 C:ALF2002 3.5 24.6 1.0
OE1 C:GLN204 3.5 33.0 1.0
C C:GLY42 3.6 34.5 1.0
CZ C:ARG178 3.6 35.5 1.0
CA C:GLU43 3.9 34.4 0.5
CA C:GLU43 3.9 34.4 0.5
CG C:GLU43 4.0 35.0 0.5
CG C:GLU43 4.1 34.2 0.5
PB C:GDP1002 4.1 21.2 1.0
CG C:LYS180 4.3 34.6 1.0
CB C:GLU43 4.5 34.1 0.5
CB C:GLU43 4.6 34.2 0.5
N C:GLY42 4.6 33.3 1.0
O C:HOH3076 4.6 31.1 1.0
O C:HOH3200 4.6 39.4 1.0
CD C:LYS180 4.7 35.8 1.0
N C:GLY203 4.7 32.7 1.0
O C:GLY42 4.8 33.7 1.0
O3B C:GDP1002 4.8 20.3 1.0
O3A C:GDP1002 4.9 18.9 1.0
NE C:ARG178 4.9 35.2 1.0
O1B C:GDP1002 4.9 19.8 1.0
CG C:GLN204 4.9 33.1 1.0
CB C:LYS180 4.9 31.4 1.0
CA C:LYS180 4.9 30.8 1.0
N C:THR181 5.0 30.3 1.0
NZ C:LYS46 5.0 32.0 1.0

Fluorine binding site 7 out of 8 in 2ode

Go back to Fluorine Binding Sites List in 2ode
Fluorine binding site 7 out of 8 in the Crystal Structure of the Heterodimeric Complex of Human RGS8 and Activated Gi Alpha 3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Crystal Structure of the Heterodimeric Complex of Human RGS8 and Activated Gi Alpha 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F2002

b:22.0
occ:1.00
 F3 C:ALF2002 0.0 22.0 1.0
AL C:ALF2002 1.8 23.9 1.0
F1 C:ALF2002 2.6 24.6 1.0
O C:HOH3194 2.6 18.7 1.0
F2 C:ALF2002 2.6 22.9 1.0
O2B C:GDP1002 2.7 22.0 1.0
NZ C:LYS46 2.7 32.0 1.0
N C:GLY203 2.8 32.7 1.0
CA C:GLY203 3.3 32.2 1.0
CA C:GLY42 3.3 34.0 1.0
CE C:LYS46 3.5 32.5 1.0
F4 C:ALF2002 3.6 27.4 1.0
PB C:GDP1002 3.6 21.2 1.0
N C:GLU43 3.7 33.7 1.0
O3B C:GDP1002 3.8 20.3 1.0
C C:GLY202 3.8 33.0 1.0
O C:ALA41 3.9 32.7 1.0
N C:GLY42 3.9 33.3 1.0
CA C:GLY202 4.0 32.2 1.0
C C:GLY42 4.0 34.5 1.0
OE1 C:GLN204 4.1 33.0 1.0
C C:ALA41 4.2 33.3 1.0
C C:GLY203 4.2 32.4 1.0
O1B C:GDP1002 4.2 19.8 1.0
O C:VAL201 4.2 31.0 1.0
MG C:MG3002 4.3 24.7 1.0
NE2 C:GLN204 4.3 31.5 1.0
N C:GLN204 4.3 32.9 1.0
O C:HOH3190 4.5 21.4 1.0
CD C:GLN204 4.5 30.6 1.0
O C:GLY40 4.7 34.8 1.0
O C:GLY202 4.9 32.0 1.0
CA C:GLU43 4.9 34.4 0.5
CA C:GLU43 4.9 34.4 0.5
CD C:LYS46 4.9 32.6 1.0

Fluorine binding site 8 out of 8 in 2ode

Go back to Fluorine Binding Sites List in 2ode
Fluorine binding site 8 out of 8 in the Crystal Structure of the Heterodimeric Complex of Human RGS8 and Activated Gi Alpha 3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Crystal Structure of the Heterodimeric Complex of Human RGS8 and Activated Gi Alpha 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F2002

b:27.4
occ:1.00
 F4 C:ALF2002 0.0 27.4 1.0
AL C:ALF2002 1.8 23.9 1.0
F1 C:ALF2002 2.4 24.6 1.0
F2 C:ALF2002 2.5 22.9 1.0
NH1 C:ARG178 2.6 33.1 1.0
O2B C:GDP1002 2.6 22.0 1.0
O C:HOH3194 2.8 18.7 1.0
N C:THR181 2.9 30.3 1.0
O C:HOH3187 3.0 22.7 1.0
NH2 C:ARG178 3.1 32.0 1.0
CA C:LYS180 3.2 30.8 1.0
CZ C:ARG178 3.3 35.5 1.0
MG C:MG3002 3.3 24.7 1.0
C C:LYS180 3.5 29.6 1.0
F3 C:ALF2002 3.6 22.0 1.0
CG C:LYS180 3.7 34.6 1.0
PB C:GDP1002 3.8 21.2 1.0
O C:VAL179 3.8 30.8 1.0
O1B C:GDP1002 3.8 19.8 1.0
CB C:LYS180 3.9 31.4 1.0
OG1 C:THR181 3.9 32.1 1.0
CA C:THR181 4.0 31.6 1.0
CB C:THR181 4.1 31.3 1.0
N C:LYS180 4.2 30.6 1.0
O C:THR181 4.3 32.2 1.0
O1A C:GDP1002 4.4 22.3 1.0
C C:VAL179 4.4 31.8 1.0
NE C:ARG178 4.5 35.2 1.0
O3A C:GDP1002 4.6 18.9 1.0
C C:THR181 4.7 31.1 1.0
NE2 C:GLN204 4.8 31.5 1.0
O C:LYS180 4.8 28.7 1.0
N C:GLU43 4.8 33.7 1.0
OE1 C:GLN204 4.8 33.0 1.0
CD C:LYS180 4.8 35.8 1.0
O C:HOH3190 4.9 21.4 1.0

Reference:

M.Soundararajan, F.S.Willard, A.J.Kimple, A.P.Turnbull, L.J.Ball, G.A.Schoch, C.Gileadi, O.Y.Fedorov, E.F.Dowler, V.A.Higman, S.Q.Hutsell, M.Sundstrom, D.A.Doyle, D.P.Siderovski. Structural Diversity in the Rgs Domain and Its Interaction with Heterotrimeric G Protein Alpha-Subunits. Proc.Natl.Acad.Sci.Usa V. 105 6457 2008.
ISSN: ISSN 0027-8424
PubMed: 18434541
DOI: 10.1073/PNAS.0801508105
Page generated: Wed Jul 31 15:17:46 2024

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