Fluorine in PDB 1p2s: H-Ras 166 in 50% 2,2,2 Triflouroethanol

The structure of H-Ras 166 in 50% 2,2,2 Triflouroethanol, PDB code: 1p2s was solved by G.K.Buhrman, V.De Serrano, C.Mattos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.56 / 2.45
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	40.330, 40.330, 161.330, 90.00, 90.00, 120.00
R / Rfree (%)	18.8 / 23

The structure of H-Ras 166 in 50% 2,2,2 Triflouroethanol also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Fluorine atom in the H-Ras 166 in 50% 2,2,2 Triflouroethanol (pdb code 1p2s). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the H-Ras 166 in 50% 2,2,2 Triflouroethanol, PDB code: 1p2s:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the H-Ras 166 in 50% 2,2,2 Triflouroethanol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of H-Ras 166 in 50% 2,2,2 Triflouroethanol within 5.0Å range: probe atom residue distance (Å) B Occ A:F400 b:63.0 occ:1.00 F1 A:ETF400 0.0 63.0 1.0 C1 A:ETF400 1.3 62.9 1.0 F3 A:ETF400 2.1 60.8 1.0 F2 A:ETF400 2.2 64.0 1.0 C2 A:ETF400 2.4 62.3 1.0 NH2 A:ARG97 2.7 57.6 1.0 CZ A:ARG97 2.8 55.6 1.0 NE A:ARG97 2.8 52.3 1.0 O A:ASP107 3.0 38.3 1.0 CD A:LYS101 3.5 48.6 1.0 O A:ETF400 3.6 62.7 1.0 NH1 A:ARG97 3.7 57.9 1.0 CD A:ARG97 3.8 47.2 1.0 CG A:LYS101 3.9 43.5 1.0 CG A:ARG97 3.9 41.2 1.0 CE A:LYS101 4.0 53.6 1.0 CE A:MET111 4.1 36.6 1.0 C A:ASP107 4.1 39.2 1.0 NZ A:LYS101 4.3 56.4 1.0 O A:HOH217 4.7 36.8 1.0 CA A:ASP107 4.8 39.9 1.0

Fluorine binding site 2 out of 3 in the H-Ras 166 in 50% 2,2,2 Triflouroethanol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of H-Ras 166 in 50% 2,2,2 Triflouroethanol within 5.0Å range: probe atom residue distance (Å) B Occ A:F400 b:64.0 occ:1.00 F2 A:ETF400 0.0 64.0 1.0 C1 A:ETF400 1.3 62.9 1.0 F3 A:ETF400 2.1 60.8 1.0 F1 A:ETF400 2.2 63.0 1.0 C2 A:ETF400 2.3 62.3 1.0 CD A:LYS101 2.7 48.6 1.0 O A:ETF400 3.0 62.7 1.0 O A:ASP107 3.2 38.3 1.0 NZ A:LYS101 3.2 56.4 1.0 CE A:LYS101 3.4 53.6 1.0 OD1 A:ASP107 3.8 44.8 1.0 CG A:LYS101 3.8 43.5 1.0 CA A:ASP107 3.9 39.9 1.0 C A:ASP107 3.9 39.2 1.0 CB A:ASP107 4.2 41.7 1.0 NE A:ARG97 4.3 52.3 1.0 CG A:ASP107 4.4 43.2 1.0 NH2 A:ARG97 4.5 57.6 1.0 CZ A:ARG97 4.7 55.6 1.0 CB A:LYS101 4.9 40.2 1.0

Fluorine binding site 3 out of 3 in the H-Ras 166 in 50% 2,2,2 Triflouroethanol


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of H-Ras 166 in 50% 2,2,2 Triflouroethanol within 5.0Å range: probe atom residue distance (Å) B Occ A:F400 b:60.8 occ:1.00 F3 A:ETF400 0.0 60.8 1.0 C1 A:ETF400 1.3 62.9 1.0 F1 A:ETF400 2.1 63.0 1.0 F2 A:ETF400 2.1 64.0 1.0 C2 A:ETF400 2.3 62.3 1.0 NE A:ARG97 2.6 52.3 1.0 O A:ETF400 2.6 62.7 1.0 NZ A:LYS101 2.7 56.4 1.0 CE A:LYS101 3.0 53.6 1.0 CD A:ARG97 3.2 47.2 1.0 CD A:LYS101 3.3 48.6 1.0 CZ A:ARG97 3.4 55.6 1.0 NH2 A:ARG97 3.6 57.6 1.0 CG A:ARG97 3.7 41.2 1.0 CG A:LYS101 4.3 43.5 1.0 CD1 A:TYR137 4.4 37.3 1.0 NH1 A:ARG97 4.5 57.9 1.0 CE1 A:TYR137 4.5 37.1 1.0 O A:ASP107 4.7 38.3 1.0 CB A:ARG97 5.0 38.3 1.0

G.K.Buhrman, V.De Serrano, C.Mattos. Organic Solvents Order the Dynamic Switch II in Ras Crystals Structure V. 11 747 2003.
ISSN: ISSN 0969-2126
PubMed: 12842038
DOI: 10.1016/S0969-2126(03)00128-X