Fluorine in PDB 4hqh: Decamer Fluoro Carbocyclic Lna (R-F-Clna) Crystal Structure

The structure of Decamer Fluoro Carbocyclic Lna (R-F-Clna) Crystal Structure, PDB code: 4hqh was solved by P.P.Seth, P.S.Pallan, E.E.Swayze, M.Egli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.67 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	26.115, 43.859, 45.787, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 24.6

The binding sites of Fluorine atom in the Decamer Fluoro Carbocyclic Lna (R-F-Clna) Crystal Structure (pdb code 4hqh). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Decamer Fluoro Carbocyclic Lna (R-F-Clna) Crystal Structure, PDB code: 4hqh:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Decamer Fluoro Carbocyclic Lna (R-F-Clna) Crystal Structure


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Decamer Fluoro Carbocyclic Lna (R-F-Clna) Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:F6 b:22.7 occ:1.00 F7' A:ULF6 0.0 22.7 1.0 C6' A:ULF6 1.4 19.7 1.0 C8' A:ULF6 2.3 21.8 1.0 C2' A:ULF6 2.4 20.2 1.0 C1' A:ULF6 2.8 17.9 1.0 C4' A:ULF6 3.3 20.9 1.0 O4' A:ULF6 3.3 19.4 1.0 O A:HOH133 3.4 31.3 1.0 C3' A:ULF6 3.5 21.5 1.0 O3' A:ULF6 4.0 24.0 1.0 O2 A:ULF6 4.1 14.8 1.0 N1 A:ULF6 4.2 17.2 1.0 O4' A:DA7 4.4 16.9 1.0 C2 A:ULF6 4.6 15.3 1.0 C5' A:ULF6 4.6 22.0 1.0 O A:HOH121 4.8 24.8 1.0

Fluorine binding site 2 out of 2 in the Decamer Fluoro Carbocyclic Lna (R-F-Clna) Crystal Structure


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Decamer Fluoro Carbocyclic Lna (R-F-Clna) Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ B:F16 b:18.4 occ:1.00 F7' B:ULF16 0.0 18.4 1.0 C6' B:ULF16 1.4 18.4 1.0 C2' B:ULF16 2.3 16.6 1.0 C8' B:ULF16 2.4 16.9 1.0 C1' B:ULF16 2.6 16.1 1.0 O B:HOH121 3.2 28.7 1.0 O4' B:ULF16 3.2 16.9 1.0 C4' B:ULF16 3.3 17.0 1.0 C3' B:ULF16 3.5 16.4 1.0 O B:HOH111 3.5 26.5 1.0 O2 B:ULF16 3.9 15.5 1.0 N1 B:ULF16 4.0 14.3 1.0 O3' B:ULF16 4.1 19.0 1.0 O4' B:DA17 4.4 16.8 1.0 C2 B:ULF16 4.4 14.6 1.0 C5' B:ULF16 4.7 20.0 1.0 C5' B:DA17 5.0 18.3 1.0

P.P.Seth, P.S.Pallan, E.E.Swayze, M.Egli. Properties of A Fluorinated Carbocyclic Lna Analog To Be Published.