Fluorine in PDB 1dnf: Effects of 5-Fluorouracil/Guanine Wobble Base Pairs in Z- Dna. Molecular and Crystal Structure of D(Cgcgfg)

The structure of Effects of 5-Fluorouracil/Guanine Wobble Base Pairs in Z- Dna. Molecular and Crystal Structure of D(Cgcgfg), PDB code: 1dnf was solved by M.Coll, D.Saal, C.A.Frederick, J.Aymami, A.Rich, A.H.-J.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	17.360, 31.150, 45.400, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The structure of Effects of 5-Fluorouracil/Guanine Wobble Base Pairs in Z- Dna. Molecular and Crystal Structure of D(Cgcgfg) also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Fluorine atom in the Effects of 5-Fluorouracil/Guanine Wobble Base Pairs in Z- Dna. Molecular and Crystal Structure of D(Cgcgfg) (pdb code 1dnf). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Effects of 5-Fluorouracil/Guanine Wobble Base Pairs in Z- Dna. Molecular and Crystal Structure of D(Cgcgfg), PDB code: 1dnf:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Effects of 5-Fluorouracil/Guanine Wobble Base Pairs in Z- Dna. Molecular and Crystal Structure of D(Cgcgfg)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Effects of 5-Fluorouracil/Guanine Wobble Base Pairs in Z- Dna. Molecular and Crystal Structure of D(Cgcgfg) within 5.0Å range: probe atom residue distance (Å) B Occ A:F5 b:13.6 occ:1.00 F5 A:UFP5 0.0 13.6 1.0 C5 A:UFP5 1.3 9.0 1.0 C4 A:UFP5 2.3 9.1 1.0 C6 A:UFP5 2.3 8.8 1.0 O4 A:UFP5 2.7 8.9 1.0 N3 A:UFP5 3.6 7.9 1.0 C2' A:DG4 3.6 8.0 1.0 N1 A:UFP5 3.6 7.4 1.0 N9 A:DG4 3.9 8.4 1.0 N4 B:DC7 3.9 9.4 1.0 C1' A:DG4 4.0 8.0 1.0 C2 A:UFP5 4.1 8.6 1.0 C8 A:DG4 4.2 7.8 1.0 O6 A:DG6 4.2 9.0 1.0 C4 A:DG4 4.2 8.0 1.0 N7 A:DG4 4.6 8.2 1.0 C4 B:DC7 4.7 10.1 1.0 C5 A:DG4 4.7 7.8 1.0 N3 A:DG4 4.7 7.2 1.0 C3' A:DG4 4.8 8.5 1.0 C1' A:UFP5 4.8 8.6 1.0 O4' A:UFP5 4.8 8.3 1.0

Fluorine binding site 2 out of 2 in the Effects of 5-Fluorouracil/Guanine Wobble Base Pairs in Z- Dna. Molecular and Crystal Structure of D(Cgcgfg)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Effects of 5-Fluorouracil/Guanine Wobble Base Pairs in Z- Dna. Molecular and Crystal Structure of D(Cgcgfg) within 5.0Å range: probe atom residue distance (Å) B Occ B:F11 b:15.4 occ:1.00 F5 B:UFP11 0.0 15.4 1.0 C5 B:UFP11 1.2 10.2 1.0 C6 B:UFP11 2.3 9.8 1.0 C4 B:UFP11 2.3 9.2 1.0 O4 B:UFP11 2.8 11.2 1.0 C2' B:DG10 3.5 10.6 1.0 N1 B:UFP11 3.5 10.2 1.0 N3 B:UFP11 3.5 10.8 1.0 N9 B:DG10 3.6 9.9 1.0 O B:HOH38 3.8 39.4 1.0 N4 A:DC1 3.8 8.6 1.0 C1' B:DG10 3.9 10.1 1.0 O B:HOH34 3.9 24.2 1.0 C8 B:DG10 4.0 8.9 1.0 C2 B:UFP11 4.0 8.7 1.0 C4 B:DG10 4.0 8.6 1.0 O B:HOH47 4.1 46.3 1.0 O6 B:DG12 4.2 12.0 1.0 C5 B:DG10 4.4 9.5 1.0 N7 B:DG10 4.5 10.2 1.0 N3 B:DG10 4.6 8.3 1.0 O4' B:UFP11 4.6 10.8 1.0 C4 A:DC1 4.7 8.9 1.0 C1' B:UFP11 4.7 9.1 1.0 C3' B:DG10 4.8 10.6 1.0 O A:HOH24 4.9 15.8 1.0 C6 B:DG12 5.0 10.2 1.0

M.Coll, D.Saal, C.A.Frederick, J.Aymami, A.Rich, A.H.Wang. Effects of 5-Fluorouracil/Guanine Wobble Base Pairs in Z-Dna: Molecular and Crystal Structure of D(Cgcgfg). Nucleic Acids Res. V. 17 911 1989.
ISSN: ISSN 0305-1048
PubMed: 2922276
DOI: 10.1093/NAR/17.3.911