Bromine in PDB 6r47: The Structure of Pistol Ribozyme Bound to Magnesium

The structure of The Structure of Pistol Ribozyme Bound to Magnesium, PDB code: 6r47 was solved by D.M.J.Lilley, T.M.Wilson, Y.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	81.67 / 3.10
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	94.309, 94.309, 96.031, 90.00, 90.00, 120.00
R / Rfree (%)	17.6 / 18

The structure of The Structure of Pistol Ribozyme Bound to Magnesium also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Bromine atom in the The Structure of Pistol Ribozyme Bound to Magnesium (pdb code 6r47). 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 The Structure of Pistol Ribozyme Bound to Magnesium, PDB code: 6r47:

Bromine binding site 1 out of 1 in the The Structure of Pistol Ribozyme Bound to Magnesium


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 Pistol Ribozyme Bound to Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Br36 b:0.1 occ:1.00 BR A:CBV36 0.0 0.1 1.0 C5 A:CBV36 1.9 0.7 1.0 C6 A:CBV36 2.8 0.7 1.0 C4 A:CBV36 2.9 1.0 1.0 N4 A:CBV36 3.1 0.3 1.0 O2P A:CBV36 3.5 0.9 1.0 C5 A:C35 3.7 0.4 1.0 C4 A:C35 3.7 0.5 1.0 C6 A:C35 3.9 0.8 1.0 N3 A:C35 3.9 0.9 1.0 N1 A:C35 4.0 0.4 1.0 C2 A:C35 4.1 0.5 1.0 N3 A:CBV36 4.1 0.1 1.0 N1 A:CBV36 4.1 0.1 1.0 N4 A:C35 4.3 0.3 1.0 O5' A:CBV36 4.3 0.7 1.0 C3' A:C35 4.4 0.8 1.0 O3P A:CBV36 4.4 0.8 1.0 P A:CBV36 4.5 0.6 1.0 C2' A:C35 4.5 0.3 1.0 C2 A:CBV36 4.6 0.2 1.0 N7 A:G37 4.7 0.2 1.0 O2 A:C35 4.8 0.2 1.0 O5' A:C35 4.8 0.7 1.0 OP2 A:C35 4.9 0.1 1.0 C1' A:C35 4.9 0.3 1.0 O3' A:C35 5.0 0.1 1.0

T.J.Wilson, Y.Liu, N.S.Li, Q.Dai, J.A.Piccirilli, D.M.J.Lilley. Comparison of the Structures and Mechanisms of the Pistol and Hammerhead Ribozymes. J.Am.Chem.Soc. V. 141 7865 2019.
ISSN: ESSN 1520-5126
PubMed: 31017785
DOI: 10.1021/JACS.9B02141