Bromine in PDB 5ux3: Rna Hairpin Structure Containing 2-Meimpg Monomer Analogue and 2- Meimp-Oligomer Analogue

The structure of Rna Hairpin Structure Containing 2-Meimpg Monomer Analogue and 2- Meimp-Oligomer Analogue, PDB code: 5ux3 was solved by W.Zhang, S.S.Oh, J.W.Szostak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.61 / 2.50
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	46.527, 46.527, 156.938, 90.00, 90.00, 90.00
R / Rfree (%)	21.8 / 26.1

The binding sites of Bromine atom in the Rna Hairpin Structure Containing 2-Meimpg Monomer Analogue and 2- Meimp-Oligomer Analogue (pdb code 5ux3). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Rna Hairpin Structure Containing 2-Meimpg Monomer Analogue and 2- Meimp-Oligomer Analogue, PDB code: 5ux3:

Bromine binding site 1 out of 1 in the Rna Hairpin Structure Containing 2-Meimpg Monomer Analogue and 2- Meimp-Oligomer Analogue


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Rna Hairpin Structure Containing 2-Meimpg Monomer Analogue and 2- Meimp-Oligomer Analogue within 5.0Å range: probe atom residue distance (Å) B Occ A:Br6 b:84.4 occ:1.00 BR A:5BU6 0.0 84.4 1.0 C5 A:5BU6 1.9 74.6 1.0 C6 A:5BU6 2.8 73.9 1.0 C4 A:5BU6 2.8 74.7 1.0 O4 A:5BU6 3.0 73.3 1.0 OP2 A:5BU6 3.5 76.9 1.0 N7 A:G5 3.5 66.3 1.0 C8 A:G5 3.6 66.3 1.0 C5 A:G5 3.6 68.2 1.0 N9 A:G5 3.8 73.2 1.0 C4 A:G5 3.9 70.7 1.0 C3' A:G5 4.1 76.0 1.0 N3 A:5BU6 4.1 84.7 1.0 N1 A:5BU6 4.1 69.1 1.0 C6 A:G5 4.2 66.7 1.0 O5' A:5BU6 4.4 65.2 1.0 C2' A:G5 4.5 76.4 1.0 C2 A:5BU6 4.6 72.2 1.0 N3 A:G5 4.6 74.6 1.0 C1' A:G5 4.7 79.8 1.0 P A:5BU6 4.7 70.9 1.0 O6 A:G5 4.7 68.8 1.0 N1 A:G5 4.9 79.2 1.0 C4' A:G5 4.9 75.5 1.0 O3' A:G5 5.0 76.6 1.0 C5' A:G5 5.0 75.2 1.0

W.Zhang, C.P.Tam, L.Zhou, S.S.Oh, J.Wang, J.W.Szostak. Structural Rationale For the Enhanced Catalysis of Nonenzymatic Rna Primer Extension By A Downstream Oligonucleotide. J. Am. Chem. Soc. V. 140 2829 2018.
ISSN: ESSN 1520-5126
PubMed: 29411978
DOI: 10.1021/JACS.7B11750