Bromine in PDB 2xc6: Crystal Structure of the Gna 3'-Ctc(Br)Uagag-2'

The structure of Crystal Structure of the Gna 3'-Ctc(Br)Uagag-2', PDB code: 2xc6 was solved by M.K.Schlegel, L.-O.Essen, E.Meggers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 1.83
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	56.930, 56.930, 28.970, 90.00, 90.00, 90.00
R / Rfree (%)	23.447 / 27.06

The structure of Crystal Structure of the Gna 3'-Ctc(Br)Uagag-2' also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Bromine atom in the Crystal Structure of the Gna 3'-Ctc(Br)Uagag-2' (pdb code 2xc6). 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 the Gna 3'-Ctc(Br)Uagag-2', PDB code: 2xc6:

Bromine binding site 1 out of 1 in the Crystal Structure of the Gna 3'-Ctc(Br)Uagag-2'


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 the Gna 3'-Ctc(Br)Uagag-2' within 5.0Å range: probe atom residue distance (Å) B Occ A:Br4 b:40.7 occ:0.60 BR5 A:ZBU4 0.0 40.7 0.6 C5 A:ZBU4 1.9 34.3 1.0 C6 A:ZBU4 2.7 32.7 1.0 C4 A:ZBU4 2.9 31.1 1.0 O4 A:ZBU4 3.2 33.2 1.0 O A:HOH2009 3.7 64.8 1.0 O A:HOH2007 4.0 36.9 1.0 N1 A:ZBU4 4.0 29.2 1.0 N3 A:ZBU4 4.1 29.5 1.0 O A:HOH2005 4.3 55.9 1.0 C2 A:ZBU4 4.6 28.2 1.0 N4 A:ZCY3 5.0 29.8 1.0

A.T.Johnson, M.K.Schlegel, E.Meggers, L.O.Essen, O.Wiest. On the Structure and Dynamics of Duplex Gna. J.Org.Chem. V. 76 7964 2011.
ISSN: ISSN 0022-3263
PubMed: 21838272
DOI: 10.1021/JO201469B