Bromine in PDB 1ik5: Crystal Structure of A 14MER Rna Containing Double Uu Bulges in Two Crystal Forms: A Novel U*(Au) Intramolecular Base Triple

The structure of Crystal Structure of A 14MER Rna Containing Double Uu Bulges in Two Crystal Forms: A Novel U*(Au) Intramolecular Base Triple, PDB code: 1ik5 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 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	60.040, 29.530, 52.440, 90.00, 120.83, 90.00
R / Rfree (%)	20.9 / 23.2

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

Magnesium

(Mg)

2 atoms

The binding sites of Bromine atom in the Crystal Structure of A 14MER Rna Containing Double Uu Bulges in Two Crystal Forms: A Novel U*(Au) Intramolecular Base Triple (pdb code 1ik5). 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 14MER Rna Containing Double Uu Bulges in Two Crystal Forms: A Novel U*(Au) Intramolecular Base Triple, PDB code: 1ik5:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of A 14MER Rna Containing Double Uu Bulges in Two Crystal Forms: A Novel U*(Au) Intramolecular 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 14MER Rna Containing Double Uu Bulges in Two Crystal Forms: A Novel U*(Au) Intramolecular Base Triple within 5.0Å range: probe atom residue distance (Å) B Occ A:Br13 b:35.4 occ:1.00 BR A:CBR13 0.0 35.4 1.0 C5 A:CBR13 1.9 31.6 1.0 C6 A:CBR13 2.8 32.3 1.0 C4 A:CBR13 2.9 32.5 1.0 N4 A:CBR13 3.1 29.2 1.0 N7 A:A12 3.7 31.8 1.0 OP2 A:CBR13 3.7 39.5 1.0 C8 A:A12 3.8 31.9 1.0 C5 A:A12 3.9 32.0 1.0 N9 A:A12 4.0 32.0 1.0 C4 A:A12 4.1 30.8 1.0 N1 A:CBR13 4.1 31.6 1.0 N3 A:CBR13 4.1 33.3 1.0 C3' A:A12 4.3 34.1 1.0 C2' A:A12 4.4 30.7 1.0 O5' A:CBR13 4.4 35.3 1.0 C6 A:A12 4.5 32.6 1.0 C2 A:CBR13 4.6 34.2 1.0 P A:CBR13 4.7 38.9 1.0 O5' A:A12 4.8 34.9 1.0 N3 A:A12 4.8 29.9 1.0 C1' A:A12 4.8 34.4 1.0 C5 A:C14 4.9 33.1 1.0 N6 A:A12 5.0 33.2 1.0 N4 A:C14 5.0 30.9 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of A 14MER Rna Containing Double Uu Bulges in Two Crystal Forms: A Novel U*(Au) Intramolecular 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 14MER Rna Containing Double Uu Bulges in Two Crystal Forms: A Novel U*(Au) Intramolecular Base Triple within 5.0Å range: probe atom residue distance (Å) B Occ B:Br27 b:36.2 occ:1.00 BR B:CBR27 0.0 36.2 1.0 C5 B:CBR27 1.9 35.0 1.0 C6 B:CBR27 2.8 32.3 1.0 C4 B:CBR27 2.9 32.7 1.0 N4 B:CBR27 3.1 28.0 1.0 N7 B:A26 3.6 31.4 1.0 OP2 B:CBR27 3.6 42.0 1.0 C5 B:A26 3.7 31.5 1.0 C8 B:A26 3.7 33.2 1.0 O B:HOH94 3.8 34.7 1.0 C4 B:A26 3.9 30.4 1.0 N9 B:A26 3.9 33.1 1.0 N1 B:CBR27 4.1 32.9 1.0 N3 B:CBR27 4.1 32.8 1.0 C3' B:A26 4.2 38.8 1.0 C6 B:A26 4.3 29.3 1.0 O5' B:CBR27 4.4 35.8 1.0 C2' B:A26 4.4 33.5 1.0 N4 B:C28 4.5 31.9 1.0 P B:CBR27 4.6 37.8 1.0 N3 B:A26 4.6 33.6 1.0 C5 B:C28 4.6 27.4 1.0 C2 B:CBR27 4.6 33.5 1.0 C1' B:A26 4.7 36.6 1.0 N6 B:A26 4.9 27.5 1.0 O3' B:A26 4.9 35.1 1.0 O B:HOH37 4.9 48.1 1.0 N1 B:A26 4.9 29.2 1.0 C4 B:C28 4.9 29.7 1.0 C2 B:A26 5.0 30.5 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