Iodine in PDB 464d: Disorder and Twin Refinement of Rna Heptamer Double Helix

The structure of Disorder and Twin Refinement of Rna Heptamer Double Helix, PDB code: 464d was solved by U.Mueller, Y.A.Muller, R.Herbst-Irmer, M.Sprinzl, U.Heinemann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 1.23
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	26.375, 28.995, 28.995, 110.37, 96.62, 96.62
R / Rfree (%)	12.9 / 19.3

The structure of Disorder and Twin Refinement of Rna Heptamer Double Helix also contains other interesting chemical elements:

Strontium	(Sr)	1 atom
Sodium	(Na)	1 atom

The binding sites of Iodine atom in the Disorder and Twin Refinement of Rna Heptamer Double Helix (pdb code 464d). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Disorder and Twin Refinement of Rna Heptamer Double Helix, PDB code: 464d:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Disorder and Twin Refinement of Rna Heptamer Double Helix


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Disorder and Twin Refinement of Rna Heptamer Double Helix within 5.0Å range: probe atom residue distance (Å) B Occ B:I13 b:15.6 occ:1.00 I5 B:IU13 0.0 15.6 1.0 C5 B:IU13 2.1 9.9 1.0 C6 B:IU13 3.0 9.1 1.0 C4 B:IU13 3.0 9.8 1.0 O4 B:IU13 3.3 10.7 1.0 OP2 B:IU13 3.5 16.4 1.0 C5 B:C12 3.7 13.9 1.0 C6 B:C12 3.8 12.1 1.0 O B:HOH1032 3.9 22.8 1.0 C4 B:C12 4.2 10.4 1.0 O B:HOH1104 4.2 17.1 1.0 C3' B:C12 4.3 10.6 1.0 N1 B:IU13 4.3 9.2 1.0 N3 B:IU13 4.3 9.9 1.0 N1 B:C12 4.3 14.5 1.0 O5' B:IU13 4.4 10.8 1.0 O5' B:C12 4.4 11.6 1.0 P B:IU13 4.5 11.6 1.0 O B:HOH1009 4.6 13.6 1.0 OP2 B:C12 4.6 12.2 1.0 N3 B:C12 4.6 13.8 1.0 N4 B:C12 4.7 16.0 1.0 C2 B:C12 4.8 12.9 1.0 O3' B:C12 4.8 13.3 1.0 C2' B:C12 4.9 11.4 1.0 C2 B:IU13 4.9 9.6 1.0 O B:HOH1019 5.0 17.8 1.0

Iodine binding site 2 out of 2 in the Disorder and Twin Refinement of Rna Heptamer Double Helix


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Disorder and Twin Refinement of Rna Heptamer Double Helix within 5.0Å range: probe atom residue distance (Å) B Occ D:I13 b:13.2 occ:1.00 I5 D:IU13 0.0 13.2 1.0 C5 D:IU13 2.0 10.0 1.0 C6 D:IU13 2.9 12.0 1.0 C4 D:IU13 3.0 9.4 1.0 O4 D:IU13 3.1 11.5 1.0 O D:HOH1043 3.3 17.0 1.0 C5 D:C12 3.5 12.0 1.0 C4 D:C12 3.6 10.3 1.0 C6 D:C12 3.6 9.8 1.0 N3 D:C12 3.8 8.8 1.0 N1 D:C12 3.8 8.8 1.0 C2 D:C12 3.8 6.9 1.0 OP2 D:IU13 3.9 12.7 1.0 O D:HOH1111 3.9 25.9 1.0 O D:HOH1008 3.9 16.1 1.0 O D:HOH1054 4.0 19.5 1.0 O D:HOH1025 4.1 15.9 1.0 N3 D:IU13 4.2 10.7 1.0 C3' D:C12 4.2 9.2 1.0 O D:HOH1051 4.2 21.6 1.0 N4 D:C12 4.2 10.8 1.0 N1 D:IU13 4.2 12.4 1.0 C2' D:C12 4.3 10.9 1.0 O2 D:C12 4.6 7.9 1.0 O5' D:IU13 4.6 11.4 1.0 C1' D:C12 4.6 8.3 1.0 P D:IU13 4.7 12.4 1.0 C2 D:IU13 4.8 11.3 1.0 O5' D:C12 4.9 9.9 1.0 O3' D:C12 5.0 10.6 1.0

U.Mueller, Y.A.Muller, R.Herbst-Irmer, M.Sprinzl, U.Heinemann. Disorder and Twin Refinement of Rna Heptamer Double Helices. Acta Crystallogr.,Sect.D V. 55 1405 1999.
ISSN: ISSN 0907-4449
PubMed: 10417408
DOI: 10.1107/S0907444999007441