Fluorine in PDB 1icg: Structure of the Hybrid Rna/Dna R-Gcuucggc-D[F]U in Presence of Ir(NH3)6+++

The structure of Structure of the Hybrid Rna/Dna R-Gcuucggc-D[F]U in Presence of Ir(NH3)6+++, PDB code: 1icg was solved by W.Cruse, P.Saludjian, A.Neuman, T.Prange, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 1.53
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	53.750, 19.400, 45.840, 90.00, 105.70, 90.00
R / Rfree (%)	17.7 / 20.5

The structure of Structure of the Hybrid Rna/Dna R-Gcuucggc-D[F]U in Presence of Ir(NH3)6+++ also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Iridium	(Ir)	2 atoms

The binding sites of Fluorine atom in the Structure of the Hybrid Rna/Dna R-Gcuucggc-D[F]U in Presence of Ir(NH3)6+++ (pdb code 1icg). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Structure of the Hybrid Rna/Dna R-Gcuucggc-D[F]U in Presence of Ir(NH3)6+++, PDB code: 1icg:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Structure of the Hybrid Rna/Dna R-Gcuucggc-D[F]U in Presence of Ir(NH3)6+++


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of the Hybrid Rna/Dna R-Gcuucggc-D[F]U in Presence of Ir(NH3)6+++ within 5.0Å range: probe atom residue distance (Å) B Occ A:F9 b:29.0 occ:1.00 F5 A:UFP9 0.0 29.0 1.0 C5 A:UFP9 1.5 17.4 1.0 C6 A:UFP9 2.5 13.5 1.0 C4 A:UFP9 2.5 15.3 1.0 O4 A:UFP9 2.8 21.7 1.0 O1P A:UFP9 3.6 18.7 1.0 N1 A:UFP9 3.7 14.0 1.0 N3 A:UFP9 3.8 18.3 1.0 O A:HOH116 4.0 49.2 1.0 C2 A:UFP9 4.3 15.9 1.0 O A:HOH137 4.4 32.5 1.0 O2P A:UFP9 4.4 15.4 1.0 P A:UFP9 4.4 18.9 1.0 O5' A:UFP9 4.8 13.7 1.0 C1' A:UFP9 4.9 9.4 1.0

Fluorine binding site 2 out of 2 in the Structure of the Hybrid Rna/Dna R-Gcuucggc-D[F]U in Presence of Ir(NH3)6+++


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of the Hybrid Rna/Dna R-Gcuucggc-D[F]U in Presence of Ir(NH3)6+++ within 5.0Å range: probe atom residue distance (Å) B Occ B:F9 b:54.8 occ:1.00 F5 B:UFP9 0.0 54.8 1.0 C5 B:UFP9 1.5 54.2 1.0 C6 B:UFP9 2.5 54.2 1.0 C4 B:UFP9 2.5 56.1 1.0 O4 B:UFP9 2.8 72.4 1.0 OP1 B:C8 3.5 43.8 1.0 N1 B:UFP9 3.7 58.1 1.0 N3 B:UFP9 3.8 56.5 1.0 C2 B:UFP9 4.3 54.7 1.0 O B:HOH108 4.3 31.6 1.0 O1P B:UFP9 4.6 62.9 1.0 P B:C8 4.8 39.0 1.0 C2' B:UFP9 4.8 62.4 1.0 C1' B:UFP9 4.9 63.9 1.0

W.Cruse, P.Saludjian, A.Neuman, T.Prange. Destabilizing Effect of A Fluorouracil Extra Base in A Hybrid Rna Duplex Compared with Bromo and Chloro Analogues. Acta Crystallogr.,Sect.D V. 57 1609 2001.
ISSN: ISSN 0907-4449
PubMed: 11679725
DOI: 10.1107/S0907444901012318