Fluorine in PDB 2v4z: The Crystal Structure of the Human G-Protein Subunit Alpha (GNAI3) in Complex with An Engineered Regulator of G-Protein Signaling Type 2 Domain (RGS2)

The structure of The Crystal Structure of the Human G-Protein Subunit Alpha (GNAI3) in Complex with An Engineered Regulator of G-Protein Signaling Type 2 Domain (RGS2), PDB code: 2v4z was solved by A.K.Roos, M.Soundararajan, A.C.W.Pike, C.H.Arrowsmith, J.Weigelt, A.Edwards, C.Bountra, S.Knapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.37 / 2.80
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	114.539, 114.539, 99.330, 90.00, 90.00, 120.00
R / Rfree (%)	20.8 / 25.4

The structure of The Crystal Structure of the Human G-Protein Subunit Alpha (GNAI3) in Complex with An Engineered Regulator of G-Protein Signaling Type 2 Domain (RGS2) also contains other interesting chemical elements:

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

The binding sites of Fluorine atom in the The Crystal Structure of the Human G-Protein Subunit Alpha (GNAI3) in Complex with An Engineered Regulator of G-Protein Signaling Type 2 Domain (RGS2) (pdb code 2v4z). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the The Crystal Structure of the Human G-Protein Subunit Alpha (GNAI3) in Complex with An Engineered Regulator of G-Protein Signaling Type 2 Domain (RGS2), PDB code: 2v4z:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the The Crystal Structure of the Human G-Protein Subunit Alpha (GNAI3) in Complex with An Engineered Regulator of G-Protein Signaling Type 2 Domain (RGS2)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Crystal Structure of the Human G-Protein Subunit Alpha (GNAI3) in Complex with An Engineered Regulator of G-Protein Signaling Type 2 Domain (RGS2) within 5.0Å range: probe atom residue distance (Å) B Occ A:F1349 b:53.8 occ:1.00 F1 A:ALF1349 0.0 53.8 1.0 AL A:ALF1349 1.8 55.7 1.0 F2 A:ALF1349 2.5 55.5 1.0 F3 A:ALF1349 2.5 54.0 1.0 O2B A:GDP1348 2.6 45.8 1.0 O A:HOH2012 2.7 38.2 1.0 N A:GLY203 2.7 52.8 1.0 NZ A:LYS46 2.9 51.1 1.0 CE A:LYS46 3.1 52.2 1.0 CA A:GLY203 3.2 53.0 1.0 CA A:GLY42 3.2 52.0 1.0 O1B A:GDP1348 3.6 47.1 1.0 F4 A:ALF1349 3.6 55.5 1.0 PB A:GDP1348 3.6 47.9 1.0 N A:GLU43 3.6 53.3 1.0 C A:GLY202 3.8 52.4 1.0 C A:GLY42 3.9 52.5 1.0 N A:GLY42 4.0 51.6 1.0 CA A:GLY202 4.0 52.3 1.0 O A:ALA41 4.1 50.9 1.0 OE1 A:GLN204 4.1 53.3 1.0 MG A:MG1350 4.1 39.9 1.0 C A:GLY203 4.2 53.1 1.0 O3B A:GDP1348 4.2 46.8 1.0 C A:ALA41 4.3 50.9 1.0 N A:GLN204 4.3 53.3 1.0 NE2 A:GLN204 4.4 54.1 1.0 O A:VAL201 4.4 52.0 1.0 O A:HOH2002 4.5 26.7 1.0 CD A:GLN204 4.6 53.6 1.0 CD A:LYS46 4.7 52.3 1.0 O A:GLY40 4.7 50.3 1.0 O A:GLY202 4.8 52.2 1.0 CA A:GLU43 4.9 53.8 1.0 O3A A:GDP1348 4.9 48.5 1.0

Fluorine binding site 2 out of 4 in the The Crystal Structure of the Human G-Protein Subunit Alpha (GNAI3) in Complex with An Engineered Regulator of G-Protein Signaling Type 2 Domain (RGS2)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of The Crystal Structure of the Human G-Protein Subunit Alpha (GNAI3) in Complex with An Engineered Regulator of G-Protein Signaling Type 2 Domain (RGS2) within 5.0Å range: probe atom residue distance (Å) B Occ A:F1349 b:55.5 occ:1.00 F2 A:ALF1349 0.0 55.5 1.0 MG A:MG1350 1.8 39.9 1.0 AL A:ALF1349 1.8 55.7 1.0 O A:HOH2002 2.4 26.7 1.0 O2B A:GDP1348 2.5 45.8 1.0 F4 A:ALF1349 2.5 55.5 1.0 F1 A:ALF1349 2.5 53.8 1.0 OG1 A:THR181 2.6 51.8 1.0 O3B A:GDP1348 2.8 46.8 1.0 O A:HOH2012 2.8 38.2 1.0 CB A:THR181 3.0 52.4 1.0 PB A:GDP1348 3.1 47.9 1.0 O A:HOH2015 3.4 33.1 1.0 O A:VAL201 3.6 52.0 1.0 F3 A:ALF1349 3.6 54.0 1.0 CE A:LYS46 3.6 52.2 1.0 O1B A:GDP1348 3.7 47.1 1.0 OG A:SER47 3.8 49.1 1.0 N A:THR181 3.8 52.5 1.0 CA A:THR181 4.0 52.3 1.0 CA A:GLY202 4.1 52.3 1.0 CG2 A:THR181 4.1 52.4 1.0 NZ A:LYS46 4.1 51.1 1.0 O A:THR181 4.2 52.3 1.0 N A:GLY203 4.2 52.8 1.0 O3A A:GDP1348 4.5 48.5 1.0 C A:VAL201 4.5 51.8 1.0 C A:THR181 4.5 52.3 1.0 C A:GLY202 4.6 52.4 1.0 N A:GLY202 4.7 52.1 1.0 NH1 A:ARG178 4.8 52.6 1.0 CD A:LYS46 4.9 52.3 1.0 CB A:LYS46 4.9 52.5 1.0 CB A:SER47 4.9 50.4 1.0 OD1 A:ASP200 4.9 52.8 1.0

Fluorine binding site 3 out of 4 in the The Crystal Structure of the Human G-Protein Subunit Alpha (GNAI3) in Complex with An Engineered Regulator of G-Protein Signaling Type 2 Domain (RGS2)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of The Crystal Structure of the Human G-Protein Subunit Alpha (GNAI3) in Complex with An Engineered Regulator of G-Protein Signaling Type 2 Domain (RGS2) within 5.0Å range: probe atom residue distance (Å) B Occ A:F1349 b:54.0 occ:1.00 F3 A:ALF1349 0.0 54.0 1.0 AL A:ALF1349 1.8 55.7 1.0 O A:HOH2012 2.5 38.2 1.0 F1 A:ALF1349 2.5 53.8 1.0 F4 A:ALF1349 2.6 55.5 1.0 O2B A:GDP1348 2.6 45.8 1.0 NE2 A:GLN204 2.9 54.1 1.0 NH2 A:ARG178 2.9 52.8 1.0 N A:GLU43 3.0 53.3 1.0 CA A:GLY42 3.3 52.0 1.0 OE1 A:GLN204 3.4 53.3 1.0 CD A:GLN204 3.5 53.6 1.0 F2 A:ALF1349 3.6 55.5 1.0 NH1 A:ARG178 3.6 52.6 1.0 C A:GLY42 3.6 52.5 1.0 CZ A:ARG178 3.7 51.9 1.0 CA A:GLU43 4.0 53.8 1.0 PB A:GDP1348 4.1 47.9 1.0 CG A:GLU43 4.2 56.2 1.0 CG A:LYS180 4.3 53.0 1.0 CD A:LYS180 4.4 53.8 1.0 N A:GLY203 4.6 52.8 1.0 CB A:GLU43 4.7 54.1 1.0 N A:GLY42 4.7 51.6 1.0 O1B A:GDP1348 4.7 47.1 1.0 O3A A:GDP1348 4.7 48.5 1.0 MG A:MG1350 4.7 39.9 1.0 N A:THR181 4.8 52.5 1.0 O A:GLY42 4.8 52.5 1.0 O A:HOH2015 4.9 33.1 1.0 CA A:LYS180 4.9 52.4 1.0 O3B A:GDP1348 5.0 46.8 1.0 NE A:ARG178 5.0 50.5 1.0 CB A:LYS180 5.0 52.6 1.0 O A:THR181 5.0 52.3 1.0 CG A:GLN204 5.0 53.5 1.0

Fluorine binding site 4 out of 4 in the The Crystal Structure of the Human G-Protein Subunit Alpha (GNAI3) in Complex with An Engineered Regulator of G-Protein Signaling Type 2 Domain (RGS2)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of The Crystal Structure of the Human G-Protein Subunit Alpha (GNAI3) in Complex with An Engineered Regulator of G-Protein Signaling Type 2 Domain (RGS2) within 5.0Å range: probe atom residue distance (Å) B Occ A:F1349 b:55.5 occ:1.00 F4 A:ALF1349 0.0 55.5 1.0 AL A:ALF1349 1.8 55.7 1.0 O2B A:GDP1348 2.5 45.8 1.0 F2 A:ALF1349 2.5 55.5 1.0 O A:HOH2012 2.5 38.2 1.0 F3 A:ALF1349 2.6 54.0 1.0 O A:HOH2015 2.7 33.1 1.0 N A:THR181 2.7 52.5 1.0 NH1 A:ARG178 2.9 52.6 1.0 MG A:MG1350 2.9 39.9 1.0 NH2 A:ARG178 3.1 52.8 1.0 OG1 A:THR181 3.2 51.8 1.0 CA A:LYS180 3.3 52.4 1.0 CZ A:ARG178 3.3 51.9 1.0 C A:LYS180 3.5 52.4 1.0 F1 A:ALF1349 3.6 53.8 1.0 PB A:GDP1348 3.6 47.9 1.0 CB A:THR181 3.7 52.4 1.0 CA A:THR181 3.7 52.3 1.0 O3B A:GDP1348 3.8 46.8 1.0 O A:VAL179 3.8 51.6 1.0 CG A:LYS180 3.9 53.0 1.0 CB A:LYS180 4.1 52.6 1.0 O A:THR181 4.1 52.3 1.0 O1A A:GDP1348 4.2 48.1 1.0 O3A A:GDP1348 4.3 48.5 1.0 N A:LYS180 4.3 52.1 1.0 C A:THR181 4.4 52.3 1.0 C A:VAL179 4.5 51.5 1.0 NE A:ARG178 4.6 50.5 1.0 O A:HOH2002 4.6 26.7 1.0 O A:LYS180 4.7 52.5 1.0 O1B A:GDP1348 4.8 47.1 1.0 OG A:SER47 4.8 49.1 1.0 N A:GLU43 4.8 53.3 1.0 CD A:LYS180 4.9 53.8 1.0 OE1 A:GLN204 4.9 53.3 1.0 PA A:GDP1348 5.0 49.0 1.0

A.J.Kimple, M.Soundararajan, S.Q.Hutsell, A.K.Roos, D.J.Urban, V.Setola, B.R.Temple, B.L.Roth, S.Knapp, F.S.Willard, D.P.Siderovski. Structural Determinants of G-Protein Alpha Subunit Selectivity By Regulator of G-Protein Signaling 2(RGS2). J.Biol.Chem. V. 284 19402 2009.
ISSN: ISSN 0021-9258
PubMed: 19478087
DOI: 10.1074/JBC.M109.024711