Bromine in PDB 1fuf: Crystal Structure of A 14BP Rna Oligonucleotide Containing Double Uu Bulges: A Novel Intramolecular U*(Au) Base Triple

The structure of Crystal Structure of A 14BP Rna Oligonucleotide Containing Double Uu Bulges: A Novel Intramolecular U*(Au) Base Triple, PDB code: 1fuf was solved by J.Deng, Y.Xiong, C.Sudarsanakumar, K.Shi, M.Sundaralingam, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	60.060, 29.100, 52.570, 90.00, 120.69, 90.00
R / Rfree (%)	19.9 / 22.7

The structure of Crystal Structure of A 14BP Rna Oligonucleotide Containing Double Uu Bulges: A Novel Intramolecular U*(Au) Base Triple also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Bromine atom in the Crystal Structure of A 14BP Rna Oligonucleotide Containing Double Uu Bulges: A Novel Intramolecular U*(Au) Base Triple (pdb code 1fuf). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of A 14BP Rna Oligonucleotide Containing Double Uu Bulges: A Novel Intramolecular U*(Au) Base Triple, PDB code: 1fuf:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of A 14BP Rna Oligonucleotide Containing Double Uu Bulges: A Novel Intramolecular U*(Au) Base Triple


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of A 14BP Rna Oligonucleotide Containing Double Uu Bulges: A Novel Intramolecular U*(Au) Base Triple within 5.0Å range: probe atom residue distance (Å) B Occ A:Br13 b:39.6 occ:1.00 BR A:CBR13 0.0 39.6 1.0 C5 A:CBR13 1.9 26.3 1.0 C6 A:CBR13 2.8 26.5 1.0 C4 A:CBR13 2.9 24.9 1.0 N4 A:CBR13 3.1 23.5 1.0 N7 A:A12 3.5 25.1 1.0 C5 A:A12 3.6 24.2 1.0 C8 A:A12 3.6 25.6 1.0 O A:HOH69 3.7 42.1 1.0 OP2 A:CBR13 3.7 28.6 1.0 O A:HOH73 3.7 34.3 1.0 C4 A:A12 3.8 23.9 1.0 N9 A:A12 3.8 24.4 1.0 N1 A:CBR13 4.1 23.7 1.0 N3 A:CBR13 4.1 24.6 1.0 C6 A:A12 4.2 23.0 1.0 O A:HOH66 4.2 39.6 1.0 C3' A:A12 4.3 27.2 1.0 C2' A:A12 4.3 28.4 1.0 O5' A:CBR13 4.4 27.1 1.0 N3 A:A12 4.5 23.3 1.0 C2 A:CBR13 4.6 24.1 1.0 P A:CBR13 4.6 29.3 1.0 C1' A:A12 4.7 28.7 1.0 C5 A:C14 4.7 24.8 1.0 N6 A:A12 4.7 21.9 1.0 N4 A:C14 4.8 26.0 1.0 N1 A:A12 4.8 21.2 1.0 C2 A:A12 4.9 23.1 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of A 14BP Rna Oligonucleotide Containing Double Uu Bulges: A Novel Intramolecular U*(Au) Base Triple


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of A 14BP Rna Oligonucleotide Containing Double Uu Bulges: A Novel Intramolecular U*(Au) Base Triple within 5.0Å range: probe atom residue distance (Å) B Occ B:Br27 b:42.4 occ:1.00 BR B:CBR27 0.0 42.4 1.0 C5 B:CBR27 1.9 27.0 1.0 C6 B:CBR27 2.8 24.3 1.0 C4 B:CBR27 2.9 25.4 1.0 N4 B:CBR27 3.1 20.2 1.0 O B:HOH61 3.4 34.0 1.0 O B:HOH45 3.6 34.8 1.0 N7 B:A26 3.6 26.9 1.0 OP2 B:CBR27 3.6 31.7 1.0 C5 B:A26 3.7 23.6 1.0 C8 B:A26 3.7 28.3 1.0 O B:HOH51 3.8 31.9 1.0 C4 B:A26 3.8 25.9 1.0 N9 B:A26 3.9 28.7 1.0 N1 B:CBR27 4.1 24.5 1.0 N3 B:CBR27 4.1 20.9 1.0 C2' B:A26 4.3 31.9 1.0 C3' B:A26 4.3 34.7 1.0 C6 B:A26 4.3 23.5 1.0 O5' B:CBR27 4.4 31.2 1.0 N4 B:C28 4.5 24.2 1.0 N3 B:A26 4.5 26.3 1.0 P B:CBR27 4.6 32.9 1.0 C5 B:C28 4.6 23.9 1.0 C2 B:CBR27 4.6 22.2 1.0 C1' B:A26 4.7 32.7 1.0 N6 B:A26 4.9 24.0 1.0 N1 B:A26 4.9 21.7 1.0 C4 B:C28 4.9 23.1 1.0 C2 B:A26 4.9 24.5 1.0 O3' B:A26 5.0 33.2 1.0

J.Deng, Y.Xiong, C.Sudarsanakumar, K.Shi, M.Sundaralingam. Crystal Structures of Two Forms of A 14-Mer Rna/Dna Chimer Duplex with Double Uu Bulges: A Novel Intramolecular U*(A X U) Base Triple. Rna V. 7 1425 2001.
ISSN: ISSN 1355-8382
PubMed: 11680847