Fluorine in PDB 2ihb: Crystal Structure of the Heterodimeric Complex of Human RGS10 and Activated Gi Alpha 3

The structure of Crystal Structure of the Heterodimeric Complex of Human RGS10 and Activated Gi Alpha 3, PDB code: 2ihb was solved by M.Soundararajan, A.P.Turnbull, E.Papagrigoriou, A.C.W.Pike, G.Bunkoczi, E.Ugochukwu, F.Gorrec, F.Von Delft, J.Weigelt, A.Edwards, C.Arrowsmith, M.Sundstrom, D.A.Doyle, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.60 / 2.71
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	100.628, 100.628, 145.359, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 23.6

The structure of Crystal Structure of the Heterodimeric Complex of Human RGS10 and Activated Gi Alpha 3 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 Heterodimeric Complex of Human RGS10 and Activated Gi Alpha 3 (pdb code 2ihb). 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 Heterodimeric Complex of Human RGS10 and Activated Gi Alpha 3, PDB code: 2ihb:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Crystal Structure of the Heterodimeric Complex of Human RGS10 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 RGS10 and Activated Gi Alpha 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:F354 b:52.1 occ:1.00 F1 A:ALF354 0.0 52.1 1.0 AL A:ALF354 1.8 51.0 1.0 MG A:MG355 2.0 45.9 1.0 O A:HOH359 2.4 44.7 1.0 F3 A:ALF354 2.5 53.1 1.0 F4 A:ALF354 2.5 51.2 1.0 O2B A:GDP356 2.7 34.5 1.0 O A:HOH358 2.7 42.0 1.0 O1B A:GDP356 2.8 34.9 1.0 OG1 A:THR181 2.9 52.6 1.0 NZ A:LYS46 3.2 55.7 1.0 PB A:GDP356 3.2 37.9 1.0 CB A:THR181 3.2 52.9 1.0 O A:HOH360 3.3 41.4 1.0 O A:VAL201 3.4 58.4 1.0 F2 A:ALF354 3.6 48.5 1.0 O3B A:GDP356 3.8 37.6 1.0 CA A:GLY202 3.9 57.3 1.0 N A:THR181 4.0 53.2 1.0 OG A:SER47 4.1 56.0 1.0 CA A:THR181 4.2 53.1 1.0 N A:GLY203 4.2 56.5 1.0 C A:VAL201 4.3 58.4 1.0 CE A:LYS46 4.3 56.6 1.0 CG2 A:THR181 4.4 52.2 1.0 O A:THR181 4.5 53.4 1.0 C A:GLY202 4.5 56.9 1.0 N A:GLY202 4.6 57.8 1.0 CD A:LYS46 4.6 56.6 1.0 O3A A:GDP356 4.7 38.9 1.0 C A:THR181 4.8 53.3 1.0 OD1 A:ASP200 4.8 62.5 1.0 NH1 A:ARG178 4.9 61.6 1.0

Fluorine binding site 2 out of 4 in the Crystal Structure of the Heterodimeric Complex of Human RGS10 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 RGS10 and Activated Gi Alpha 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:F354 b:48.5 occ:1.00 F2 A:ALF354 0.0 48.5 1.0 AL A:ALF354 1.8 51.0 1.0 F3 A:ALF354 2.5 53.1 1.0 F4 A:ALF354 2.6 51.2 1.0 O2B A:GDP356 2.6 34.5 1.0 O A:HOH358 2.7 42.0 1.0 NE2 A:GLN204 2.7 51.6 1.0 NH2 A:ARG178 2.9 60.4 1.0 N A:GLU43 3.2 57.4 1.0 NH1 A:ARG178 3.3 61.6 1.0 OE1 A:GLN204 3.4 53.2 1.0 CD A:GLN204 3.5 53.1 1.0 CA A:GLY42 3.5 56.4 1.0 CZ A:ARG178 3.5 60.6 1.0 F1 A:ALF354 3.6 52.1 1.0 C A:GLY42 3.8 56.6 1.0 PB A:GDP356 4.1 37.9 1.0 CG A:GLU43 4.1 62.0 1.0 CA A:GLU43 4.2 58.2 1.0 CG A:LYS180 4.2 56.4 1.0 CA A:LYS180 4.6 54.1 1.0 N A:THR181 4.6 53.2 1.0 NZ A:LYS46 4.7 55.7 1.0 CB A:GLU43 4.7 58.6 1.0 N A:GLY203 4.8 56.5 1.0 O3A A:GDP356 4.8 38.9 1.0 MG A:MG355 4.8 45.9 1.0 O3B A:GDP356 4.8 37.6 1.0 NE A:ARG178 4.8 60.1 1.0 O A:HOH360 4.9 41.4 1.0 O A:GLY42 4.9 56.5 1.0 N A:GLY42 4.9 56.5 1.0 CB A:LYS180 4.9 54.3 1.0 O1B A:GDP356 4.9 34.9 1.0 CG A:GLN204 4.9 53.5 1.0

Fluorine binding site 3 out of 4 in the Crystal Structure of the Heterodimeric Complex of Human RGS10 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 RGS10 and Activated Gi Alpha 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:F354 b:53.1 occ:1.00 F3 A:ALF354 0.0 53.1 1.0 AL A:ALF354 1.8 51.0 1.0 F1 A:ALF354 2.5 52.1 1.0 F2 A:ALF354 2.5 48.5 1.0 O A:HOH360 2.6 41.4 1.0 N A:THR181 2.6 53.2 1.0 O A:HOH358 2.6 42.0 1.0 O2B A:GDP356 2.7 34.5 1.0 MG A:MG355 2.8 45.9 1.0 NH1 A:ARG178 3.0 61.6 1.0 OG1 A:THR181 3.2 52.6 1.0 CA A:LYS180 3.2 54.1 1.0 C A:LYS180 3.4 53.3 1.0 F4 A:ALF354 3.6 51.2 1.0 CB A:THR181 3.6 52.9 1.0 CA A:THR181 3.6 53.1 1.0 CZ A:ARG178 3.7 60.6 1.0 PB A:GDP356 3.8 37.9 1.0 NH2 A:ARG178 3.8 60.4 1.0 O1B A:GDP356 3.8 34.9 1.0 O A:VAL179 3.8 53.5 1.0 O1A A:GDP356 4.2 40.2 1.0 N A:LYS180 4.2 54.0 1.0 CG A:LYS180 4.2 56.4 1.0 CB A:LYS180 4.2 54.3 1.0 O A:THR181 4.3 53.4 1.0 O A:HOH359 4.3 44.7 1.0 C A:VAL179 4.4 53.5 1.0 C A:THR181 4.5 53.3 1.0 O A:LYS180 4.6 52.7 1.0 O3A A:GDP356 4.6 38.9 1.0 O A:HOH361 4.7 54.3 1.0 OE1 A:GLN204 4.8 53.2 1.0 OG A:SER47 4.8 56.0 1.0 NE A:ARG178 4.9 60.1 1.0 O3B A:GDP356 5.0 37.6 1.0 NE2 A:GLN204 5.0 51.6 1.0

Fluorine binding site 4 out of 4 in the Crystal Structure of the Heterodimeric Complex of Human RGS10 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 RGS10 and Activated Gi Alpha 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:F354 b:51.2 occ:1.00 F4 A:ALF354 0.0 51.2 1.0 AL A:ALF354 1.8 51.0 1.0 NZ A:LYS46 2.4 55.7 1.0 F1 A:ALF354 2.5 52.1 1.0 F2 A:ALF354 2.6 48.5 1.0 O A:HOH358 2.6 42.0 1.0 O2B A:GDP356 2.7 34.5 1.0 N A:GLY203 2.7 56.5 1.0 CA A:GLY42 3.0 56.4 1.0 CA A:GLY203 3.3 56.1 1.0 F3 A:ALF354 3.6 53.1 1.0 N A:GLU43 3.6 57.4 1.0 CE A:LYS46 3.7 56.6 1.0 C A:GLY202 3.8 56.9 1.0 PB A:GDP356 3.8 37.9 1.0 OE1 A:GLN204 3.8 53.2 1.0 O3B A:GDP356 3.8 37.6 1.0 C A:GLY42 3.9 56.6 1.0 N A:GLY42 3.9 56.5 1.0 CA A:GLY202 4.0 57.3 1.0 NE2 A:GLN204 4.0 51.6 1.0 C A:GLY203 4.1 55.4 1.0 O A:ALA41 4.1 56.3 1.0 CD A:GLN204 4.2 53.1 1.0 N A:GLN204 4.3 54.8 1.0 C A:ALA41 4.3 56.1 1.0 O A:VAL201 4.3 58.4 1.0 O1B A:GDP356 4.4 34.9 1.0 MG A:MG355 4.4 45.9 1.0 O A:HOH359 4.7 44.7 1.0 CD A:LYS46 4.8 56.6 1.0 O A:GLY202 4.8 56.5 1.0 O A:GLY40 4.9 55.0 1.0 CA A:GLU43 4.9 58.2 1.0 O A:GLY203 5.0 55.8 1.0

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