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Fluorine in PDB 2gtp: Crystal Structure of the Heterodimeric Complex of Human RGS1 and Activated Gi Alpha 1

Protein crystallography data

The structure of Crystal Structure of the Heterodimeric Complex of Human RGS1 and Activated Gi Alpha 1, PDB code: 2gtp was solved by M.Soundararajan, A.P.Turnbull, E.Ugochukwu, F.Gorrec, F.Von Delft, J.Weigelt, A.Edwards, C.Arrowsmith, M.Sundstrom, D.A.Doyle, Structuralgenomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.70 / 2.55
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 90.451, 102.904, 128.761, 90.00, 90.00, 90.00
R / Rfree (%) 22.6 / 27.6

Other elements in 2gtp:

The structure of Crystal Structure of the Heterodimeric Complex of Human RGS1 and Activated Gi Alpha 1 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 RGS1 and Activated Gi Alpha 1 (pdb code 2gtp). 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 RGS1 and Activated Gi Alpha 1, PDB code: 2gtp:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in 2gtp

Go back to Fluorine Binding Sites List in 2gtp
Fluorine binding site 1 out of 8 in the Crystal Structure of the Heterodimeric Complex of Human RGS1 and Activated Gi Alpha 1


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 RGS1 and Activated Gi Alpha 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F355

b:33.9
occ:1.00
 F1 A:ALF355 0.0 33.9 1.0
AL A:ALF355 1.7 34.0 1.0
MG A:MG401 2.1 33.5 1.0
F3 A:ALF355 2.3 39.4 1.0
F4 A:ALF355 2.4 32.0 1.0
O A:HOH405 2.4 25.3 1.0
O2B A:GDP402 2.5 35.7 1.0
O A:HOH404 2.8 34.6 1.0
O1B A:GDP402 2.9 32.0 1.0
OG1 A:THR181 3.1 29.1 1.0
PB A:GDP402 3.2 36.1 1.0
CB A:THR181 3.3 28.9 1.0
O A:HOH403 3.4 32.6 1.0
F2 A:ALF355 3.5 35.9 1.0
N A:THR181 3.7 28.7 1.0
O A:VAL201 3.9 29.9 1.0
O3B A:GDP402 3.9 33.1 1.0
CA A:THR181 4.0 28.6 1.0
O A:THR181 4.1 28.1 1.0
CE A:LYS46 4.1 34.5 1.0
OG A:SER47 4.1 32.7 1.0
CA A:GLY202 4.1 30.3 1.0
NZ A:LYS46 4.2 34.4 1.0
NH1 A:ARG178 4.4 26.2 1.0
C A:THR181 4.5 28.8 1.0
CG2 A:THR181 4.5 27.1 1.0
O3A A:GDP402 4.6 37.5 1.0
CA A:GLY203 4.6 30.6 1.0
C A:VAL201 4.8 29.9 1.0
C A:LYS180 4.8 29.0 1.0
O1A A:GDP402 4.8 37.3 1.0
N A:GLY202 4.9 30.0 1.0
N A:GLU43 4.9 35.3 1.0
NH2 A:ARG178 5.0 26.3 1.0
N A:GLY203 5.0 30.6 1.0

Fluorine binding site 2 out of 8 in 2gtp

Go back to Fluorine Binding Sites List in 2gtp
Fluorine binding site 2 out of 8 in the Crystal Structure of the Heterodimeric Complex of Human RGS1 and Activated Gi Alpha 1


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 RGS1 and Activated Gi Alpha 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F355

b:35.9
occ:1.00
 F2 A:ALF355 0.0 35.9 1.0
AL A:ALF355 1.8 34.0 1.0
F3 A:ALF355 2.7 39.4 1.0
NE2 A:GLN204 2.7 28.5 1.0
NH2 A:ARG178 2.7 26.3 1.0
F4 A:ALF355 2.7 32.0 1.0
N A:GLU43 2.8 35.3 1.0
O2B A:GDP402 2.8 35.7 1.0
O A:HOH405 3.0 25.3 1.0
CA A:GLY42 3.2 34.5 1.0
C A:GLY42 3.4 35.0 1.0
OE1 A:GLN204 3.5 28.2 1.0
CD A:GLN204 3.5 29.0 1.0
F1 A:ALF355 3.5 33.9 1.0
CG A:GLU43 3.5 36.8 1.0
NH1 A:ARG178 3.5 26.2 1.0
CZ A:ARG178 3.5 27.2 1.0
CA A:GLU43 3.7 36.1 1.0
CB A:GLU43 4.2 36.0 1.0
PB A:GDP402 4.3 36.1 1.0
O A:GLY42 4.5 35.2 1.0
CA A:GLY203 4.5 30.6 1.0
CG A:LYS180 4.6 29.4 1.0
N A:GLY42 4.6 34.0 1.0
CD A:GLU43 4.8 37.0 1.0
NE A:ARG178 4.8 27.0 1.0
OE2 A:GLU43 4.9 36.9 1.0
CG A:GLN204 5.0 28.2 1.0
O3B A:GDP402 5.0 33.1 1.0
O3A A:GDP402 5.0 37.5 1.0

Fluorine binding site 3 out of 8 in 2gtp

Go back to Fluorine Binding Sites List in 2gtp
Fluorine binding site 3 out of 8 in the Crystal Structure of the Heterodimeric Complex of Human RGS1 and Activated Gi Alpha 1


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 RGS1 and Activated Gi Alpha 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F355

b:39.4
occ:1.00
 F3 A:ALF355 0.0 39.4 1.0
AL A:ALF355 1.8 34.0 1.0
F1 A:ALF355 2.3 33.9 1.0
O A:HOH405 2.6 25.3 1.0
F2 A:ALF355 2.7 35.9 1.0
N A:THR181 2.8 28.7 1.0
NH1 A:ARG178 2.9 26.2 1.0
O2B A:GDP402 2.9 35.7 1.0
NH2 A:ARG178 2.9 26.3 1.0
CA A:LYS180 3.1 29.1 1.0
O A:HOH403 3.1 32.6 1.0
CZ A:ARG178 3.2 27.2 1.0
MG A:MG401 3.4 33.5 1.0
C A:LYS180 3.4 29.0 1.0
F4 A:ALF355 3.6 32.0 1.0
OG1 A:THR181 3.7 29.1 1.0
O A:VAL179 3.7 29.5 1.0
CG A:LYS180 3.8 29.4 1.0
CA A:THR181 3.9 28.6 1.0
CB A:LYS180 3.9 29.3 1.0
CB A:THR181 4.0 28.9 1.0
PB A:GDP402 4.0 36.1 1.0
O A:THR181 4.1 28.1 1.0
N A:LYS180 4.1 29.4 1.0
O1B A:GDP402 4.1 32.0 1.0
C A:VAL179 4.3 29.3 1.0
NE A:ARG178 4.4 27.0 1.0
C A:THR181 4.5 28.8 1.0
O1A A:GDP402 4.5 37.3 1.0
O A:LYS180 4.7 28.6 1.0
OE1 A:GLN204 4.7 28.2 1.0
O A:HOH404 4.8 34.6 1.0
NE2 A:GLN204 4.8 28.5 1.0
N A:GLU43 4.8 35.3 1.0
O3A A:GDP402 4.9 37.5 1.0

Fluorine binding site 4 out of 8 in 2gtp

Go back to Fluorine Binding Sites List in 2gtp
Fluorine binding site 4 out of 8 in the Crystal Structure of the Heterodimeric Complex of Human RGS1 and Activated Gi Alpha 1


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 RGS1 and Activated Gi Alpha 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F355

b:32.0
occ:1.00
 F4 A:ALF355 0.0 32.0 1.0
AL A:ALF355 1.8 34.0 1.0
F1 A:ALF355 2.4 33.9 1.0
O2B A:GDP402 2.5 35.7 1.0
O A:HOH405 2.6 25.3 1.0
NZ A:LYS46 2.7 34.4 1.0
F2 A:ALF355 2.7 35.9 1.0
CA A:GLY203 2.7 30.6 1.0
CA A:GLY42 3.2 34.5 1.0
CE A:LYS46 3.3 34.5 1.0
N A:GLU43 3.5 35.3 1.0
N A:GLY203 3.5 30.6 1.0
F3 A:ALF355 3.6 39.4 1.0
PB A:GDP402 3.6 36.1 1.0
O3B A:GDP402 3.7 33.1 1.0
C A:GLY42 3.8 35.0 1.0
O A:ALA41 3.8 33.2 1.0
N A:GLY42 3.9 34.0 1.0
CA A:GLY202 4.0 30.3 1.0
C A:GLY203 4.0 30.2 1.0
OE1 A:GLN204 4.0 28.2 1.0
C A:GLY202 4.2 30.4 1.0
C A:ALA41 4.2 33.5 1.0
O1B A:GDP402 4.2 32.0 1.0
MG A:MG401 4.2 33.5 1.0
O A:HOH404 4.4 34.6 1.0
O A:VAL201 4.4 29.9 1.0
NE2 A:GLN204 4.4 28.5 1.0
CD A:GLN204 4.6 29.0 1.0
N A:GLN204 4.6 29.7 1.0
CA A:GLU43 4.7 36.1 1.0
O A:GLY203 4.8 30.2 1.0
CD A:LYS46 4.9 34.8 1.0
O3A A:GDP402 5.0 37.5 1.0
O A:GLY40 5.0 33.5 1.0

Fluorine binding site 5 out of 8 in 2gtp

Go back to Fluorine Binding Sites List in 2gtp
Fluorine binding site 5 out of 8 in the Crystal Structure of the Heterodimeric Complex of Human RGS1 and Activated Gi Alpha 1


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 RGS1 and Activated Gi Alpha 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F355

b:36.1
occ:1.00
 F1 B:ALF355 0.0 36.1 1.0
AL B:ALF355 1.8 39.8 1.0
F4 B:ALF355 2.6 37.4 1.0
F3 B:ALF355 2.6 38.6 1.0
O2B B:GDP403 2.7 31.9 1.0
O B:HOH406 2.8 38.3 1.0
NZ B:LYS46 2.9 36.8 1.0
N B:GLY203 3.0 30.7 1.0
CE B:LYS46 3.2 35.2 1.0
CA B:GLY42 3.4 34.1 1.0
CA B:GLY203 3.5 30.7 1.0
F2 B:ALF355 3.5 37.3 1.0
O3B B:GDP403 3.6 32.5 1.0
PB B:GDP403 3.7 34.4 1.0
N B:GLU43 3.7 35.0 1.0
O B:ALA41 3.9 33.1 1.0
C B:GLY202 3.9 30.6 1.0
CA B:GLY202 4.0 30.7 1.0
N B:GLY42 4.0 33.9 1.0
C B:GLY42 4.0 34.5 1.0
O B:VAL201 4.2 30.1 1.0
OE1 B:GLN204 4.2 29.4 1.0
MG B:MG402 4.2 28.4 1.0
C B:ALA41 4.2 33.5 1.0
C B:GLY203 4.3 30.2 1.0
O1B B:GDP403 4.3 34.2 1.0
NE2 B:GLN204 4.3 30.4 1.0
O B:HOH404 4.5 40.4 1.0
N B:GLN204 4.5 30.1 1.0
CD B:GLN204 4.6 30.2 1.0
CD B:LYS46 4.7 35.0 1.0
O B:GLY40 4.9 33.8 1.0
CA B:GLU43 4.9 36.0 1.0
O3A B:GDP403 5.0 36.5 1.0
N B:GLY202 5.0 30.3 1.0
O B:GLY202 5.0 31.0 1.0

Fluorine binding site 6 out of 8 in 2gtp

Go back to Fluorine Binding Sites List in 2gtp
Fluorine binding site 6 out of 8 in the Crystal Structure of the Heterodimeric Complex of Human RGS1 and Activated Gi Alpha 1


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 RGS1 and Activated Gi Alpha 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F355

b:37.3
occ:1.00
 F2 B:ALF355 0.0 37.3 1.0
AL B:ALF355 1.8 39.8 1.0
F3 B:ALF355 2.4 38.6 1.0
F4 B:ALF355 2.5 37.4 1.0
O B:HOH406 2.6 38.3 1.0
N B:THR181 2.6 28.7 1.0
O2B B:GDP403 2.7 31.9 1.0
O B:HOH405 2.9 25.8 1.0
NH1 B:ARG178 3.0 28.8 1.0
NH2 B:ARG178 3.2 30.9 1.0
CA B:LYS180 3.2 29.0 1.0
MG B:MG402 3.3 28.4 1.0
OG1 B:THR181 3.3 29.4 1.0
C B:LYS180 3.4 28.7 1.0
CZ B:ARG178 3.4 30.0 1.0
F1 B:ALF355 3.5 36.1 1.0
CA B:THR181 3.7 28.5 1.0
O B:VAL179 3.7 29.1 1.0
CB B:THR181 3.7 28.7 1.0
CG B:LYS180 3.9 30.4 1.0
O B:THR181 3.9 27.9 1.0
PB B:GDP403 4.0 34.4 1.0
CB B:LYS180 4.0 29.4 1.0
O1B B:GDP403 4.2 34.2 1.0
N B:LYS180 4.2 29.4 1.0
C B:THR181 4.3 28.8 1.0
C B:VAL179 4.4 29.1 1.0
O B:LYS180 4.6 28.0 1.0
O B:HOH404 4.6 40.4 1.0
NE B:ARG178 4.6 31.6 1.0
O1A B:GDP403 4.7 35.2 1.0
OE1 B:GLN204 4.7 29.4 1.0
O3A B:GDP403 4.8 36.5 1.0
NE2 B:GLN204 4.8 30.4 1.0

Fluorine binding site 7 out of 8 in 2gtp

Go back to Fluorine Binding Sites List in 2gtp
Fluorine binding site 7 out of 8 in the Crystal Structure of the Heterodimeric Complex of Human RGS1 and Activated Gi Alpha 1


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 RGS1 and Activated Gi Alpha 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F355

b:38.6
occ:1.00
 F3 B:ALF355 0.0 38.6 1.0
AL B:ALF355 1.8 39.8 1.0
MG B:MG402 2.1 28.4 1.0
F2 B:ALF355 2.4 37.3 1.0
O B:HOH404 2.5 40.4 1.0
O2B B:GDP403 2.6 31.9 1.0
F1 B:ALF355 2.6 36.1 1.0
OG1 B:THR181 2.6 29.4 1.0
O B:HOH406 2.9 38.3 1.0
CB B:THR181 3.0 28.7 1.0
O1B B:GDP403 3.1 34.2 1.0
PB B:GDP403 3.4 34.4 1.0
O B:HOH405 3.4 25.8 1.0
O B:VAL201 3.5 30.1 1.0
F4 B:ALF355 3.6 37.4 1.0
N B:THR181 3.7 28.7 1.0
CA B:THR181 3.9 28.5 1.0
CE B:LYS46 3.9 35.2 1.0
CA B:GLY202 4.0 30.7 1.0
O B:THR181 4.0 27.9 1.0
O3B B:GDP403 4.1 32.5 1.0
CG2 B:THR181 4.2 28.9 1.0
OG B:SER47 4.3 30.9 1.0
NZ B:LYS46 4.3 36.8 1.0
C B:VAL201 4.4 30.1 1.0
C B:THR181 4.4 28.8 1.0
N B:GLY203 4.5 30.7 1.0
N B:GLY202 4.5 30.3 1.0
NH1 B:ARG178 4.7 28.8 1.0
C B:GLY202 4.8 30.6 1.0
O3A B:GDP403 4.8 36.5 1.0
C B:LYS180 4.9 28.7 1.0

Fluorine binding site 8 out of 8 in 2gtp

Go back to Fluorine Binding Sites List in 2gtp
Fluorine binding site 8 out of 8 in the Crystal Structure of the Heterodimeric Complex of Human RGS1 and Activated Gi Alpha 1


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 RGS1 and Activated Gi Alpha 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F355

b:37.4
occ:1.00
 F4 B:ALF355 0.0 37.4 1.0
AL B:ALF355 1.8 39.8 1.0
F2 B:ALF355 2.5 37.3 1.0
O2B B:GDP403 2.5 31.9 1.0
F1 B:ALF355 2.6 36.1 1.0
NH2 B:ARG178 2.7 30.9 1.0
O B:HOH406 2.8 38.3 1.0
NE2 B:GLN204 2.9 30.4 1.0
N B:GLU43 2.9 35.0 1.0
CA B:GLY42 3.4 34.1 1.0
NH1 B:ARG178 3.5 28.8 1.0
CZ B:ARG178 3.5 30.0 1.0
F3 B:ALF355 3.6 38.6 1.0
C B:GLY42 3.6 34.5 1.0
CD B:GLN204 3.7 30.2 1.0
OE1 B:GLN204 3.7 29.4 1.0
CA B:GLU43 3.9 36.0 1.0
PB B:GDP403 4.0 34.4 1.0
CG B:GLU43 4.1 38.4 1.0
CG B:LYS180 4.6 30.4 1.0
CB B:GLU43 4.6 35.5 1.0
O3B B:GDP403 4.6 32.5 1.0
O3A B:GDP403 4.6 36.5 1.0
N B:GLY42 4.7 33.9 1.0
O B:GLY42 4.8 34.7 1.0
NE B:ARG178 4.8 31.6 1.0
MG B:MG402 4.8 28.4 1.0
O B:HOH405 4.8 25.8 1.0
N B:GLY203 4.9 30.7 1.0
N B:THR181 5.0 28.7 1.0
O1B B:GDP403 5.0 34.2 1.0
NZ B:LYS46 5.0 36.8 1.0
CA B:LYS180 5.0 29.0 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 14:41:45 2024

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