Bromine in PDB 4q9q: Crystal Structure of An Rna Aptamer Bound to Bromo-Ligand Analog in Complex with Fab

The structure of Crystal Structure of An Rna Aptamer Bound to Bromo-Ligand Analog in Complex with Fab, PDB code: 4q9q was solved by H.Huang, N.B.Suslov, N.-S.Li, S.A.Shelke, M.E.Evans, Y.Koldobskaya, P.A.Rice, J.A.Piccirilli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.43 / 2.45
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	146.545, 79.676, 95.280, 90.00, 111.51, 90.00
R / Rfree (%)	18.2 / 22.1

The structure of Crystal Structure of An Rna Aptamer Bound to Bromo-Ligand Analog in Complex with Fab also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Potassium	(K)	1 atom

The binding sites of Bromine atom in the Crystal Structure of An Rna Aptamer Bound to Bromo-Ligand Analog in Complex with Fab (pdb code 4q9q). 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 Crystal Structure of An Rna Aptamer Bound to Bromo-Ligand Analog in Complex with Fab, PDB code: 4q9q:

Bromine binding site 1 out of 1 in the Crystal Structure of An Rna Aptamer Bound to Bromo-Ligand Analog in Complex with Fab


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 An Rna Aptamer Bound to Bromo-Ligand Analog in Complex with Fab within 5.0Å range: probe atom residue distance (Å) B Occ R:Br103 b:0.1 occ:1.00 BR7 R:2ZZ103 0.0 0.1 1.0 C4 R:2ZZ103 1.9 0.5 1.0 C3 R:2ZZ103 2.9 0.4 1.0 C5 R:2ZZ103 3.0 0.8 1.0 O2 R:U50 3.3 0.6 1.0 OP2 R:A53 3.5 0.8 1.0 O2' R:A53 3.7 0.8 1.0 C8 R:G23 3.9 0.3 1.0 C2' R:A53 3.9 0.2 1.0 C2 R:U50 4.0 0.5 1.0 N7 R:G23 4.1 1.0 1.0 C8 R:A53 4.2 0.2 1.0 C2 R:2ZZ103 4.2 0.9 1.0 C6 R:2ZZ103 4.3 0.6 1.0 O2' R:G23 4.5 0.9 1.0 O5' R:A53 4.6 0.8 1.0 O2' R:G22 4.7 99.7 1.0 P R:A53 4.7 0.0 1.0 C2' R:G23 4.7 0.4 1.0 N9 R:G23 4.7 0.8 1.0 N3 R:U50 4.7 0.2 1.0 N1 R:U50 4.7 0.8 1.0 C1' R:U50 4.7 0.1 1.0 C1 R:2ZZ103 4.8 0.6 1.0 N7 R:A53 4.8 0.6 1.0 N9 R:A53 4.8 0.2 1.0 C5 R:G23 4.9 0.9 1.0 O2' R:U50 4.9 0.1 1.0 N2 R:G54 5.0 0.3 1.0

H.Huang, N.B.Suslov, N.S.Li, S.A.Shelke, M.E.Evans, Y.Koldobskaya, P.A.Rice, J.A.Piccirilli. A G-Quadruplex-Containing Rna Activates Fluorescence in A Gfp-Like Fluorophore. Nat.Chem.Biol. V. 10 686 2014.
ISSN: ISSN 1552-4450
PubMed: 24952597
DOI: 10.1038/NCHEMBIO.1561