Fluorine in PDB 7moo: L-Type Dna Containing 2'-Fluoro-2'-Deoxycytidine

The structure of L-Type Dna Containing 2'-Fluoro-2'-Deoxycytidine, PDB code: 7moo was solved by Y.Dantsu, Y.Zhang, W.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.93 / 1.35
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	43.84, 43.84, 41.25, 90, 90, 120
R / Rfree (%)	18.4 / 22.7

The binding sites of Fluorine atom in the L-Type Dna Containing 2'-Fluoro-2'-Deoxycytidine (pdb code 7moo). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the L-Type Dna Containing 2'-Fluoro-2'-Deoxycytidine, PDB code: 7moo:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the L-Type Dna Containing 2'-Fluoro-2'-Deoxycytidine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of L-Type Dna Containing 2'-Fluoro-2'-Deoxycytidine within 5.0Å range: probe atom residue distance (Å) B Occ A:F2 b:24.9 occ:1.00 F2' A:OFC2 0.0 24.9 1.0 C2' A:OFC2 1.4 22.2 1.0 C1' A:OFC2 2.3 21.3 1.0 C3' A:OFC2 2.4 25.3 1.0 O3' A:OFC2 2.7 26.1 1.0 C4' A:OFC2 2.8 25.0 1.0 O4' A:OFC2 3.0 22.6 1.0 O A:HOH113 3.3 26.9 1.0 C5' A:0DG3 3.3 23.9 1.0 O4' A:0DG3 3.4 22.4 1.0 O5' A:0DG3 3.5 25.3 1.0 N1 A:OFC2 3.6 20.0 1.0 O2 A:OFC2 3.6 19.9 1.0 P A:0DG3 3.8 27.5 1.0 C4' A:0DG3 4.0 23.0 1.0 C2 A:OFC2 4.0 18.9 1.0 C5' A:OFC2 4.3 26.2 1.0 O B:HOH113 4.4 34.1 1.0 OP2 A:0DG3 4.6 30.0 1.0 C6 A:OFC2 4.7 20.9 1.0 OP1 A:0DG3 4.7 27.7 1.0 C8 A:0DG3 4.7 20.6 1.0 C1' A:0DG3 4.8 20.7 1.0 O5' A:OFC2 5.0 26.4 1.0

Fluorine binding site 2 out of 2 in the L-Type Dna Containing 2'-Fluoro-2'-Deoxycytidine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of L-Type Dna Containing 2'-Fluoro-2'-Deoxycytidine within 5.0Å range: probe atom residue distance (Å) B Occ B:F2 b:23.9 occ:1.00 F2' B:OFC2 0.0 23.9 1.0 C2' B:OFC2 1.4 20.5 1.0 C1' B:OFC2 2.3 18.7 1.0 C3' B:OFC2 2.4 22.2 1.0 O3' B:OFC2 2.7 23.9 1.0 C4' B:OFC2 2.8 22.4 1.0 O4' B:OFC2 2.9 21.4 1.0 O B:HOH103 3.3 29.4 1.0 C5' B:0DG3 3.4 22.7 1.0 O4' B:0DG3 3.5 23.2 1.0 O5' B:0DG3 3.6 23.6 1.0 N1 B:OFC2 3.6 17.7 1.0 O2 B:OFC2 3.8 19.9 1.0 P B:0DG3 3.9 25.3 1.0 C4' B:0DG3 3.9 23.6 1.0 C2 B:OFC2 4.2 18.3 1.0 C5' B:OFC2 4.3 22.4 1.0 C6 B:OFC2 4.7 18.8 1.0 OP2 B:0DG3 4.8 29.4 1.0 C8 B:0DG3 4.8 19.7 1.0 OP1 B:0DG3 4.8 27.2 1.0 C1' B:0DG3 4.9 20.8 1.0 O5' B:OFC2 4.9 23.3 1.0 O B:HOH114 5.0 26.4 1.0

Y.Dantsu, Y.Zhang, W.Zhang. Synthesis of 2'-Deoxy-2'-Fluoro-L-Cytidine and Fluorinated L-Nucleic Acids For Structural Studies Chemistryselect V. 6 10597 2021.
ISSN: ESSN 2365-6549
DOI: 10.1002/SLCT.202103202