Fluorine in PDB 1i0g: 1.45 A Structure of the A-Decamer Gcgtatacgc with A Single 2'-O-Fluoroethyl Thymine in Place of T6, Medium Na-Salt

The structure of 1.45 A Structure of the A-Decamer Gcgtatacgc with A Single 2'-O-Fluoroethyl Thymine in Place of T6, Medium Na-Salt, PDB code: 1i0g was solved by V.Tereshko, C.J.Wilds, G.Minasov, T.P.Prakash, M.A.Maier, A.Howard, Z.Wawrzak, M.Manoharan, M.Egli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.45
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	24.960, 43.570, 45.400, 90.00, 90.00, 90.00
R / Rfree (%)	15.9 / 19

The structure of 1.45 A Structure of the A-Decamer Gcgtatacgc with A Single 2'-O-Fluoroethyl Thymine in Place of T6, Medium Na-Salt also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Fluorine atom in the 1.45 A Structure of the A-Decamer Gcgtatacgc with A Single 2'-O-Fluoroethyl Thymine in Place of T6, Medium Na-Salt (pdb code 1i0g). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the 1.45 A Structure of the A-Decamer Gcgtatacgc with A Single 2'-O-Fluoroethyl Thymine in Place of T6, Medium Na-Salt, PDB code: 1i0g:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the 1.45 A Structure of the A-Decamer Gcgtatacgc with A Single 2'-O-Fluoroethyl Thymine in Place of T6, Medium Na-Salt


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of 1.45 A Structure of the A-Decamer Gcgtatacgc with A Single 2'-O-Fluoroethyl Thymine in Place of T6, Medium Na-Salt within 5.0Å range: probe atom residue distance (Å) B Occ A:F6 b:23.9 occ:1.00 FC' A:1256 0.0 23.9 1.0 CB' A:1256 1.4 22.0 1.0 CA' A:1256 2.4 18.5 1.0 O2' A:1256 2.8 17.8 1.0 O A:HOH158 3.1 38.4 1.0 C5' A:DA7 3.5 19.0 1.0 O4' A:DA7 3.7 16.7 1.0 C4' A:DA7 3.8 17.4 1.0 C2' A:1256 4.0 16.8 1.0 O3' A:1256 4.5 18.1 1.0 O5' A:DA7 4.5 18.1 1.0 O A:HOH112 4.8 21.4 1.0 O A:HOH167 4.8 31.6 1.0 C3' A:1256 4.8 17.6 1.0

Fluorine binding site 2 out of 2 in the 1.45 A Structure of the A-Decamer Gcgtatacgc with A Single 2'-O-Fluoroethyl Thymine in Place of T6, Medium Na-Salt


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of 1.45 A Structure of the A-Decamer Gcgtatacgc with A Single 2'-O-Fluoroethyl Thymine in Place of T6, Medium Na-Salt within 5.0Å range: probe atom residue distance (Å) B Occ B:F16 b:26.8 occ:1.00 FC' B:12516 0.0 26.8 1.0 CB' B:12516 1.4 21.0 1.0 CA' B:12516 2.4 19.4 1.0 O B:HOH183 2.8 60.0 1.0 O2' B:12516 2.9 19.3 1.0 O B:HOH107 3.4 44.4 1.0 O B:HOH169 3.6 60.0 1.0 C5' B:DA17 4.0 19.7 1.0 O4' B:DA17 4.1 19.1 1.0 C2' B:12516 4.2 16.6 1.0 C4' B:DA17 4.3 19.9 1.0 O3' B:12516 4.8 18.4 1.0 O A:HOH167 5.0 31.6 1.0

V.Tereshko, C.J.Wilds, G.Minasov, T.P.Prakash, M.A.Maier, A.Howard, Z.Wawrzak, M.Manoharan, M.Egli. Detection of Alkali Metal Ions in Dna Crystals Using State-of-the-Art X-Ray Diffraction Experiments. Nucleic Acids Res. V. 29 1208 2001.
ISSN: ISSN 0305-1048
PubMed: 11222771
DOI: 10.1093/NAR/29.5.1208