Fluorine in PDB 3cx7: Crystal Structure of Pdzrhogef Rgrgs Domain in A Complex with Galpha-13 Bound to Gdp-ALF4

The structure of Crystal Structure of Pdzrhogef Rgrgs Domain in A Complex with Galpha-13 Bound to Gdp-ALF4, PDB code: 3cx7 was solved by S.R.Sprang, Z.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.00 / 2.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.952, 66.371, 151.190, 90.00, 90.00, 90.00
R / Rfree (%)	22.9 / 26.9

The structure of Crystal Structure of Pdzrhogef Rgrgs Domain in A Complex with Galpha-13 Bound to Gdp-ALF4 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 Pdzrhogef Rgrgs Domain in A Complex with Galpha-13 Bound to Gdp-ALF4 (pdb code 3cx7). 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 Pdzrhogef Rgrgs Domain in A Complex with Galpha-13 Bound to Gdp-ALF4, PDB code: 3cx7:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Crystal Structure of Pdzrhogef Rgrgs Domain in A Complex with Galpha-13 Bound to Gdp-ALF4


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 Pdzrhogef Rgrgs Domain in A Complex with Galpha-13 Bound to Gdp-ALF4 within 5.0Å range: probe atom residue distance (Å) B Occ A:F775 b:45.0 occ:1.00 F1 A:ALF775 0.0 45.0 1.0 AL A:ALF775 1.8 44.9 1.0 O3B A:GDP875 2.5 26.4 1.0 F4 A:ALF775 2.5 41.8 1.0 F2 A:ALF775 2.5 48.0 1.0 NE2 A:GLN226 2.8 23.6 1.0 NH2 A:ARG200 2.9 17.1 1.0 N A:GLU58 2.9 20.6 1.0 O A:HOH968 2.9 72.5 1.0 CA A:GLY57 3.4 19.5 1.0 F3 A:ALF775 3.5 47.2 1.0 NH1 A:ARG200 3.5 20.9 1.0 CD A:GLN226 3.6 26.7 1.0 OE1 A:GLN226 3.6 25.4 1.0 C A:GLY57 3.6 22.7 1.0 CZ A:ARG200 3.6 17.6 1.0 CG A:GLU58 3.7 32.3 1.0 CA A:GLU58 3.8 23.4 1.0 PB A:GDP875 4.0 23.1 1.0 O A:HOH904 4.3 34.6 1.0 CB A:GLU58 4.4 26.6 1.0 O3A A:GDP875 4.6 23.1 1.0 O1B A:GDP875 4.7 18.3 1.0 N A:GLY225 4.7 21.2 1.0 O A:GLY57 4.8 21.6 1.0 N A:GLY57 4.8 19.9 1.0 O2B A:GDP875 4.8 22.1 1.0 NE A:ARG200 4.9 17.9 1.0 CD A:GLU58 5.0 35.8 1.0

Fluorine binding site 2 out of 4 in the Crystal Structure of Pdzrhogef Rgrgs Domain in A Complex with Galpha-13 Bound to Gdp-ALF4


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 Pdzrhogef Rgrgs Domain in A Complex with Galpha-13 Bound to Gdp-ALF4 within 5.0Å range: probe atom residue distance (Å) B Occ A:F775 b:48.0 occ:1.00 F2 A:ALF775 0.0 48.0 1.0 AL A:ALF775 1.7 44.9 1.0 F3 A:ALF775 2.4 47.2 1.0 F1 A:ALF775 2.5 45.0 1.0 N A:THR203 2.7 24.9 1.0 O A:HOH968 2.7 72.5 1.0 O3B A:GDP875 2.8 26.4 1.0 NH1 A:ARG200 3.0 20.9 1.0 NH2 A:ARG200 3.2 17.1 1.0 CA A:PRO202 3.2 25.3 1.0 O A:HOH966 3.4 23.0 1.0 C A:PRO202 3.4 24.5 1.0 F4 A:ALF775 3.4 41.8 1.0 CZ A:ARG200 3.5 17.6 1.0 MG A:MG378 3.5 27.1 1.0 CA A:THR203 3.8 25.3 1.0 CB A:THR203 3.8 25.2 1.0 OG1 A:THR203 3.9 28.3 1.0 O2B A:GDP875 4.1 22.1 1.0 PB A:GDP875 4.1 23.1 1.0 CB A:PRO202 4.1 24.5 1.0 O A:ARG201 4.1 25.2 1.0 O A:THR203 4.2 27.1 1.0 N A:PRO202 4.3 24.5 1.0 OE1 A:GLN226 4.4 25.4 1.0 C A:THR203 4.5 26.1 1.0 NE2 A:GLN226 4.6 23.6 1.0 O A:PRO202 4.6 24.4 1.0 O2A A:GDP875 4.6 29.4 1.0 C A:ARG201 4.7 25.1 1.0 O3A A:GDP875 4.7 23.1 1.0 NE A:ARG200 4.7 17.9 1.0 CG A:PRO202 5.0 27.1 1.0 CD A:GLN226 5.0 26.7 1.0 O A:HOH937 5.0 21.7 1.0 N A:GLU58 5.0 20.6 1.0

Fluorine binding site 3 out of 4 in the Crystal Structure of Pdzrhogef Rgrgs Domain in A Complex with Galpha-13 Bound to Gdp-ALF4


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 Pdzrhogef Rgrgs Domain in A Complex with Galpha-13 Bound to Gdp-ALF4 within 5.0Å range: probe atom residue distance (Å) B Occ A:F775 b:47.2 occ:1.00 F3 A:ALF775 0.0 47.2 1.0 AL A:ALF775 1.7 44.9 1.0 F2 A:ALF775 2.4 48.0 1.0 F4 A:ALF775 2.4 41.8 1.0 O A:HOH968 2.4 72.5 1.0 MG A:MG378 2.6 27.1 1.0 CB A:THR203 3.0 25.2 1.0 O3B A:GDP875 3.0 26.4 1.0 O A:HOH937 3.1 21.7 1.0 CA A:GLY224 3.3 21.9 1.0 O2B A:GDP875 3.4 22.1 1.0 F1 A:ALF775 3.5 45.0 1.0 OG1 A:THR203 3.5 28.3 1.0 N A:THR203 3.6 24.9 1.0 O A:VAL223 3.6 26.9 1.0 N A:GLY225 3.7 21.2 1.0 CA A:THR203 3.7 25.3 1.0 PB A:GDP875 3.8 23.1 1.0 O A:THR203 3.8 27.1 1.0 C A:GLY224 4.0 21.3 1.0 O A:HOH966 4.0 23.0 1.0 CG2 A:THR203 4.1 25.2 1.0 NZ A:LYS61 4.2 18.4 1.0 C A:THR203 4.2 26.1 1.0 N A:GLY224 4.2 25.6 1.0 CE A:LYS61 4.2 18.3 1.0 C A:VAL223 4.3 25.6 1.0 O1B A:GDP875 4.4 18.3 1.0 OE1 A:GLN226 4.7 25.4 1.0 C A:PRO202 4.8 24.5 1.0 OG A:SER62 4.9 8.5 0.5 NH1 A:ARG200 4.9 20.9 1.0 CA A:GLY225 4.9 20.0 1.0

Fluorine binding site 4 out of 4 in the Crystal Structure of Pdzrhogef Rgrgs Domain in A Complex with Galpha-13 Bound to Gdp-ALF4


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 Pdzrhogef Rgrgs Domain in A Complex with Galpha-13 Bound to Gdp-ALF4 within 5.0Å range: probe atom residue distance (Å) B Occ A:F775 b:41.8 occ:1.00 F4 A:ALF775 0.0 41.8 1.0 AL A:ALF775 1.7 44.9 1.0 F3 A:ALF775 2.4 47.2 1.0 F1 A:ALF775 2.5 45.0 1.0 O A:HOH968 2.5 72.5 1.0 N A:GLY225 2.6 21.2 1.0 O3B A:GDP875 2.8 26.4 1.0 NZ A:LYS61 3.1 18.4 1.0 CA A:GLY225 3.2 20.0 1.0 CA A:GLY57 3.3 19.5 1.0 F2 A:ALF775 3.4 48.0 1.0 C A:GLY224 3.6 21.3 1.0 N A:GLU58 3.6 20.6 1.0 OE1 A:GLN226 3.7 25.4 1.0 CE A:LYS61 3.8 18.3 1.0 PB A:GDP875 3.8 23.1 1.0 CA A:GLY224 3.9 21.9 1.0 O1B A:GDP875 3.9 18.3 1.0 C A:GLY225 4.0 23.1 1.0 C A:GLY57 4.0 22.7 1.0 O A:ALA56 4.0 17.6 1.0 NE2 A:GLN226 4.0 23.6 1.0 N A:GLN226 4.0 22.3 1.0 N A:GLY57 4.1 19.9 1.0 CD A:GLN226 4.2 26.7 1.0 O2B A:GDP875 4.4 22.1 1.0 C A:ALA56 4.4 19.0 1.0 O A:VAL223 4.5 26.9 1.0 MG A:MG378 4.6 27.1 1.0 O A:GLY224 4.6 23.4 1.0 O A:HOH937 4.7 21.7 1.0 O A:GLY55 4.8 22.7 1.0 CA A:GLU58 4.8 23.4 1.0 O A:GLY225 5.0 22.3 1.0

Z.Chen, W.D.Singer, S.M.Danesh, P.C.Sternweis, S.R.Sprang. Recognition of the Activated States of GALPHA13 By the Rgrgs Domain of Pdzrhogef. Structure V. 16 1532 2008.
ISSN: ISSN 0969-2126
PubMed: 18940608
DOI: 10.1016/J.STR.2008.07.009