Fluorine in PDB 5do5: Crystal Structure of 2'-Fluoro-Rna Bearing A Phosphorodithioate

The structure of Crystal Structure of 2'-Fluoro-Rna Bearing A Phosphorodithioate, PDB code: 5do5 was solved by P.S.Pallan, M.Egli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.20
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	41.237, 34.366, 31.976, 90.00, 127.50, 90.00
R / Rfree (%)	19 / 23

The binding sites of Fluorine atom in the Crystal Structure of 2'-Fluoro-Rna Bearing A Phosphorodithioate (pdb code 5do5). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of 2'-Fluoro-Rna Bearing A Phosphorodithioate, PDB code: 5do5:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of 2'-Fluoro-Rna Bearing A Phosphorodithioate


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 2'-Fluoro-Rna Bearing A Phosphorodithioate within 5.0Å range: probe atom residue distance (Å) B Occ A:F109 b:12.0 occ:0.55 F A:AF2109 0.0 12.0 0.6 F A:AF2109 0.7 16.1 0.5 C2' A:AF2109 1.4 13.8 0.6 C2' A:AF2109 1.6 13.6 0.5 C1' A:AF2109 2.3 12.5 0.6 C3' A:AF2109 2.4 13.7 0.6 C1' A:AF2109 2.6 13.0 0.5 C4' A:AF2109 2.7 14.0 0.6 C3' A:AF2109 2.8 13.6 0.5 O4' A:AF2109 2.9 13.4 0.6 O3' A:AF2109 2.9 13.6 0.6 O3' A:AF2109 3.2 15.1 0.5 C5' A:2SG110 3.2 17.5 1.0 O A:HOH213 3.3 27.9 1.0 C4' A:AF2109 3.3 13.6 0.5 O4' A:2SG110 3.4 14.2 1.0 O4' A:AF2109 3.4 11.9 0.5 N9 A:AF2109 3.5 13.8 0.6 O5' A:2SG110 3.6 15.5 1.0 C4' A:2SG110 3.7 14.8 1.0 N9 A:AF2109 3.7 14.3 0.5 P A:2SG110 4.0 15.9 1.0 N3 A:AF2109 4.1 12.6 0.6 N3 A:AF2109 4.1 11.1 0.5 C4 A:AF2109 4.2 10.3 0.6 C5' A:AF2109 4.2 14.7 0.6 C4 A:AF2109 4.3 12.8 0.5 C8 A:AF2109 4.6 12.7 0.6 C1' A:2SG110 4.7 13.4 1.0 C5' A:AF2109 4.8 13.3 0.5 C8 A:AF2109 4.9 12.7 0.5 O5' A:AF2109 5.0 16.4 0.6

Fluorine binding site 2 out of 2 in the Crystal Structure of 2'-Fluoro-Rna Bearing A Phosphorodithioate


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 2'-Fluoro-Rna Bearing A Phosphorodithioate within 5.0Å range: probe atom residue distance (Å) B Occ A:F109 b:16.1 occ:0.45 F A:AF2109 0.0 16.1 0.5 F A:AF2109 0.7 12.0 0.6 C2' A:AF2109 1.3 13.8 0.6 C2' A:AF2109 1.4 13.6 0.5 C3' A:AF2109 1.9 13.7 0.6 C4' A:AF2109 2.1 14.0 0.6 C1' A:AF2109 2.1 12.5 0.6 C3' A:AF2109 2.3 13.6 0.5 C1' A:AF2109 2.4 13.0 0.5 O4' A:AF2109 2.4 13.4 0.6 O3' A:AF2109 2.5 13.6 0.6 C4' A:AF2109 2.7 13.6 0.5 O3' A:AF2109 2.7 15.1 0.5 O4' A:AF2109 2.9 11.9 0.5 N9 A:AF2109 3.4 13.8 0.6 C5' A:2SG110 3.4 17.5 1.0 C5' A:AF2109 3.6 14.7 0.6 N9 A:AF2109 3.6 14.3 0.5 O5' A:2SG110 3.6 15.5 1.0 O A:HOH213 3.8 27.9 1.0 P A:2SG110 3.8 15.9 1.0 O4' A:2SG110 3.8 14.2 1.0 C4' A:2SG110 4.2 14.8 1.0 C5' A:AF2109 4.2 13.3 0.5 C4 A:AF2109 4.3 10.3 0.6 C4 A:AF2109 4.4 12.8 0.5 N3 A:AF2109 4.4 11.1 0.5 O5' A:AF2109 4.4 16.4 0.6 C8 A:AF2109 4.4 12.7 0.6 N3 A:AF2109 4.4 12.6 0.6 C8 A:AF2109 4.6 12.7 0.5 SP1 A:2SG110 4.9 18.0 1.0 O5' A:AF2109 4.9 12.4 0.5 SP2 A:2SG110 5.0 21.6 1.0

P.S.Pallan, M.Egli. Crystal Structure of 2'-Fluoro-Rna Bearing A Phosphorodithioate To Be Published.