Fluorine in PDB 3bh7: Crystal Structure of the RP2-ARL3 Complex Bound to Gdp-ALF4

The structure of Crystal Structure of the RP2-ARL3 Complex Bound to Gdp-ALF4, PDB code: 3bh7 was solved by S.Veltel, R.Gasper, A.Wittinghofer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.73 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	73.698, 77.943, 97.918, 90.00, 90.00, 90.00
R / Rfree (%)	23.2 / 26.2

The structure of Crystal Structure of the RP2-ARL3 Complex 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 the RP2-ARL3 Complex Bound to Gdp-ALF4 (pdb code 3bh7). 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 RP2-ARL3 Complex Bound to Gdp-ALF4, PDB code: 3bh7:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Crystal Structure of the RP2-ARL3 Complex 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 the RP2-ARL3 Complex Bound to Gdp-ALF4 within 5.0Å range: probe atom residue distance (Å) B Occ A:F3 b:22.5 occ:1.00 F1 A:ALF3 0.0 22.5 1.0 AL A:ALF3 1.8 22.0 1.0 F4 A:ALF3 2.5 23.5 1.0 F3 A:ALF3 2.6 21.7 1.0 O3B A:GDP2 2.6 18.1 1.0 NZ A:LYS30 2.6 17.7 1.0 O A:HOH179 2.8 20.6 1.0 N A:GLY70 2.8 21.4 1.0 CE A:LYS30 3.3 17.4 1.0 CA A:GLY70 3.4 21.2 1.0 PB A:GDP2 3.5 18.9 1.0 CA A:ASP26 3.6 19.9 1.0 F2 A:ALF3 3.6 23.2 1.0 O1B A:GDP2 3.7 18.3 1.0 C A:GLY69 3.7 21.8 1.0 CA A:GLY69 3.8 21.9 1.0 O A:HOH180 3.9 17.8 1.0 O2B A:GDP2 3.9 17.7 1.0 MG A:MG1 4.1 18.2 1.0 O A:ILE68 4.1 21.8 1.0 N A:ASN27 4.1 19.8 1.0 CB A:ASP26 4.2 19.5 1.0 N A:ASP26 4.2 19.6 1.0 OE1 A:GLN71 4.2 20.5 1.0 C A:GLY70 4.2 21.0 1.0 O A:LEU25 4.3 20.0 1.0 C A:ASP26 4.4 19.7 1.0 N A:GLN71 4.5 20.9 1.0 C A:LEU25 4.5 19.6 1.0 CD A:LYS30 4.8 18.4 1.0 CD A:GLN71 4.8 20.9 1.0 O A:GLY69 4.8 22.1 1.0 N A:GLY69 4.9 22.0 1.0 NE2 A:GLN71 4.9 20.5 1.0 C A:ILE68 4.9 21.7 1.0 O3A A:GDP2 5.0 19.4 1.0 O A:GLY24 5.0 19.6 1.0

Fluorine binding site 2 out of 4 in the Crystal Structure of the RP2-ARL3 Complex 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 the RP2-ARL3 Complex Bound to Gdp-ALF4 within 5.0Å range: probe atom residue distance (Å) B Occ A:F3 b:23.2 occ:1.00 F2 A:ALF3 0.0 23.2 1.0 AL A:ALF3 1.8 22.0 1.0 F4 A:ALF3 2.5 23.5 1.0 F3 A:ALF3 2.5 21.7 1.0 O3B A:GDP2 2.7 18.1 1.0 NH2 B:ARG118 2.8 7.3 0.6 O A:HOH179 2.8 20.6 1.0 N A:THR48 2.9 21.3 1.0 CA A:PRO47 3.0 21.6 1.0 CB A:PRO47 3.3 21.4 1.0 O A:HOH178 3.3 14.9 1.0 C A:PRO47 3.4 21.5 1.0 NH1 B:ARG118 3.5 9.5 0.6 CZ B:ARG118 3.5 9.3 0.6 F1 A:ALF3 3.6 22.5 1.0 MG A:MG1 3.6 18.2 1.0 PB A:GDP2 3.8 18.9 1.0 O2A A:GDP2 4.0 19.5 1.0 O2B A:GDP2 4.0 17.7 1.0 NE2 A:GLN71 4.1 20.5 1.0 CA A:THR48 4.1 21.4 1.0 OG1 A:THR48 4.2 20.4 1.0 N A:PRO47 4.3 22.1 1.0 CG A:PRO47 4.3 21.9 1.0 O A:THR48 4.3 22.1 1.0 CB A:THR48 4.4 21.0 1.0 O3A A:GDP2 4.4 19.4 1.0 O A:PRO47 4.6 21.2 1.0 O A:THR46 4.6 22.1 1.0 OE1 A:GLN71 4.6 20.5 1.0 C A:THR48 4.7 21.9 1.0 N A:ASN27 4.7 19.8 1.0 NE B:ARG118 4.8 10.9 0.6 CD A:GLN71 4.8 20.9 1.0 PA A:GDP2 4.9 19.2 1.0 C A:THR46 4.9 22.6 1.0

Fluorine binding site 3 out of 4 in the Crystal Structure of the RP2-ARL3 Complex 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 the RP2-ARL3 Complex Bound to Gdp-ALF4 within 5.0Å range: probe atom residue distance (Å) B Occ A:F3 b:21.7 occ:1.00 F3 A:ALF3 0.0 21.7 1.0 AL A:ALF3 1.8 22.0 1.0 MG A:MG1 1.8 18.2 1.0 F2 A:ALF3 2.5 23.2 1.0 F1 A:ALF3 2.6 22.5 1.0 O A:HOH180 2.6 17.8 1.0 O3B A:GDP2 2.6 18.1 1.0 OG1 A:THR48 2.7 20.4 1.0 O A:HOH179 2.7 20.6 1.0 O2B A:GDP2 2.7 17.7 1.0 CB A:THR48 3.0 21.0 1.0 O A:HOH178 3.1 14.9 1.0 PB A:GDP2 3.2 18.9 1.0 N A:THR48 3.3 21.3 1.0 F4 A:ALF3 3.5 23.5 1.0 CA A:THR48 3.7 21.4 1.0 OG1 A:THR31 3.8 19.0 1.0 CA A:GLY69 4.1 21.9 1.0 O A:THR48 4.1 22.1 1.0 O1B A:GDP2 4.2 18.3 1.0 CG2 A:THR48 4.3 20.4 1.0 NZ A:LYS30 4.3 17.7 1.0 C A:PRO47 4.4 21.5 1.0 C A:THR48 4.4 21.9 1.0 O A:ILE68 4.5 21.8 1.0 CE A:LYS30 4.5 17.4 1.0 N A:GLY70 4.5 21.4 1.0 O3A A:GDP2 4.5 19.4 1.0 CA A:PRO47 4.7 21.6 1.0 O2A A:GDP2 4.7 19.5 1.0 N A:GLY69 4.8 22.0 1.0 C A:GLY69 4.9 21.8 1.0 NH2 B:ARG118 4.9 7.3 0.6 C A:ILE68 5.0 21.7 1.0 CB A:THR31 5.0 18.5 1.0

Fluorine binding site 4 out of 4 in the Crystal Structure of the RP2-ARL3 Complex 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 the RP2-ARL3 Complex Bound to Gdp-ALF4 within 5.0Å range: probe atom residue distance (Å) B Occ A:F3 b:23.5 occ:1.00 F4 A:ALF3 0.0 23.5 1.0 AL A:ALF3 1.8 22.0 1.0 F2 A:ALF3 2.5 23.2 1.0 F1 A:ALF3 2.5 22.5 1.0 O3B A:GDP2 2.6 18.1 1.0 NH1 B:ARG118 2.7 9.5 0.6 O A:HOH179 2.8 20.6 1.0 NE2 A:GLN71 3.0 20.5 1.0 CB A:ASP26 3.0 19.5 1.0 CA A:ASP26 3.0 19.9 1.0 N A:ASN27 3.1 19.8 1.0 NH2 B:ARG118 3.5 7.3 0.6 CZ B:ARG118 3.5 9.3 0.6 CD A:GLN71 3.5 20.9 1.0 OE1 A:GLN71 3.5 20.5 1.0 C A:ASP26 3.5 19.7 1.0 F3 A:ALF3 3.5 21.7 1.0 PB A:GDP2 4.1 18.9 1.0 CA A:ASN27 4.3 19.6 1.0 N A:ASP26 4.3 19.6 1.0 O A:HOH188 4.4 22.8 1.0 N A:GLY70 4.4 21.4 1.0 CG A:ASP26 4.5 20.8 1.0 N A:GLN71 4.7 20.9 1.0 NZ A:LYS30 4.7 17.7 1.0 O A:ASP26 4.7 20.1 1.0 O1B A:GDP2 4.7 18.3 1.0 CG A:GLN71 4.7 20.9 1.0 NE B:ARG118 4.8 10.9 0.6 O2B A:GDP2 4.9 17.7 1.0 CA A:GLY70 4.9 21.2 1.0 O3A A:GDP2 4.9 19.4 1.0 C A:GLY70 4.9 21.0 1.0 OD2 A:ASP26 4.9 21.6 1.0 N A:THR48 5.0 21.3 1.0 CB A:PRO47 5.0 21.4 1.0 CB A:ASN27 5.0 20.0 1.0

S.Veltel, R.Gasper, E.Eisenacher, A.Wittinghofer. The Retinitis Pigmentosa 2 Gene Product Is A Gtpase-Activating Protein For Arf-Like 3 Nat.Struct.Mol.Biol. V. 15 373 2008.
ISSN: ISSN 1545-9993
PubMed: 18376416
DOI: 10.1038/NSMB.1396