Bromine in PDB 165d: The Structure of A Mispaired Rna Double Helix at 1.6 Angstroms Resolution and Implications For the Prediction of Rna Secondary Structure

The structure of The Structure of A Mispaired Rna Double Helix at 1.6 Angstroms Resolution and Implications For the Prediction of Rna Secondary Structure, PDB code: 165d was solved by W.Cruse, P.Saludjian, E.Biala, P.Strazewski, T.Prange, O.Kennard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.55
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	53.800, 19.400, 50.140, 90.00, 109.90, 90.00
R / Rfree (%)	18 / n/a

The structure of The Structure of A Mispaired Rna Double Helix at 1.6 Angstroms Resolution and Implications For the Prediction of Rna Secondary Structure also contains other interesting chemical elements:

Rhodium

(Rh)

4 atoms

The binding sites of Bromine atom in the The Structure of A Mispaired Rna Double Helix at 1.6 Angstroms Resolution and Implications For the Prediction of Rna Secondary Structure (pdb code 165d). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 3 binding sites of Bromine where determined in the The Structure of A Mispaired Rna Double Helix at 1.6 Angstroms Resolution and Implications For the Prediction of Rna Secondary Structure, PDB code: 165d:
Jump to Bromine binding site number: 1; 2; 3;

Bromine binding site 1 out of 3 in the The Structure of A Mispaired Rna Double Helix at 1.6 Angstroms Resolution and Implications For the Prediction of Rna Secondary Structure


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of The Structure of A Mispaired Rna Double Helix at 1.6 Angstroms Resolution and Implications For the Prediction of Rna Secondary Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Br9 b:16.6 occ:1.00 BR A:BRU9 0.0 16.6 1.0 C5 A:BRU9 1.9 12.9 1.0 C6 A:BRU9 2.9 11.6 1.0 C4 A:BRU9 2.9 12.4 1.0 O4 A:BRU9 3.2 12.8 1.0 OP1 A:BRU9 3.7 7.5 1.0 O A:HOH63 4.0 27.5 1.0 N3 A:BRU9 4.2 11.1 1.0 N1 A:BRU9 4.2 10.1 1.0 OP2 A:BRU9 4.2 7.5 1.0 P A:BRU9 4.4 7.4 1.0 C2 A:BRU9 4.7 10.6 1.0 O5' A:BRU9 4.9 7.6 1.0

Bromine binding site 2 out of 3 in the The Structure of A Mispaired Rna Double Helix at 1.6 Angstroms Resolution and Implications For the Prediction of Rna Secondary Structure


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of The Structure of A Mispaired Rna Double Helix at 1.6 Angstroms Resolution and Implications For the Prediction of Rna Secondary Structure within 5.0Å range: probe atom residue distance (Å) B Occ B:Br18 b:28.9 occ:0.50 BR B:BRU18 0.0 28.9 0.5 O2 B:BRU18 0.6 36.8 0.5 C2 B:BRU18 1.0 36.8 0.5 C5 B:BRU18 1.9 27.8 0.5 N1 B:BRU18 1.9 36.2 0.5 N3 B:BRU18 2.1 37.1 0.5 O4' B:BRU18 2.4 34.5 0.5 C1' B:BRU18 2.5 35.2 0.5 C6 B:BRU18 2.8 27.6 0.5 C4 B:BRU18 2.9 27.6 0.5 O4 B:BRU18 3.1 27.7 0.5 C5' B:BRU18 3.1 32.3 0.5 C2' B:BRU18 3.1 34.7 0.5 C6 B:BRU18 3.2 37.0 0.5 C4' B:BRU18 3.2 33.7 0.5 OP2 B:BRU18 3.3 26.2 0.5 C4 B:BRU18 3.3 37.4 0.5 O5' B:BRU18 3.5 31.1 0.5 C5 B:C17 3.6 22.3 1.0 C5 B:BRU18 3.7 37.3 0.5 OP1 B:BRU18 3.7 29.8 0.5 O B:HOH52 3.8 27.0 1.0 C6 B:C17 3.8 22.3 1.0 C3' B:BRU18 3.8 34.2 0.5 C4 B:C17 4.0 22.2 1.0 P B:BRU18 4.1 29.3 0.5 N3 B:BRU18 4.1 27.4 0.5 N1 B:BRU18 4.1 27.1 0.5 N1 B:C17 4.3 22.6 1.0 O4 B:BRU18 4.3 37.5 0.5 P B:BRU18 4.4 26.3 0.5 N3 B:C17 4.4 22.1 1.0 C3' B:C17 4.5 24.7 1.0 N4 B:C17 4.5 22.4 1.0 C2 B:C17 4.6 22.3 1.0 C2 B:BRU18 4.7 27.3 0.5 O5' B:BRU18 4.8 26.4 0.5 C2' B:C17 4.9 23.9 1.0 O3' B:C17 4.9 26.1 1.0

Bromine binding site 3 out of 3 in the The Structure of A Mispaired Rna Double Helix at 1.6 Angstroms Resolution and Implications For the Prediction of Rna Secondary Structure


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of The Structure of A Mispaired Rna Double Helix at 1.6 Angstroms Resolution and Implications For the Prediction of Rna Secondary Structure within 5.0Å range: probe atom residue distance (Å) B Occ B:Br18 b:39.2 occ:0.50 BR B:BRU18 0.0 39.2 0.5 C5 B:BRU18 1.9 37.3 0.5 C4 B:BRU18 2.8 37.4 0.5 C6 B:BRU18 2.9 37.0 0.5 O4 B:BRU18 3.1 37.5 0.5 O4 B:BRU18 3.3 27.7 0.5 O B:HOH75 3.8 33.6 1.0 N3 B:BRU18 4.1 37.1 0.5 N1 B:BRU18 4.2 36.2 0.5 N4 B:C17 4.2 22.4 1.0 C4 B:BRU18 4.5 27.6 0.5 C2 B:BRU18 4.6 36.8 0.5 O6 A:G1 5.0 19.5 1.0

W.B.Cruse, P.Saludjian, E.Biala, P.Strazewski, T.Prange, O.Kennard. Structure of A Mispaired Rna Double Helix at 1.6-A Resolution and Implications For the Prediction of Rna Secondary Structure. Proc.Natl.Acad.Sci.Usa V. 91 4160 1994.
ISSN: ISSN 0027-8424
PubMed: 7514296
DOI: 10.1073/PNAS.91.10.4160