Bromine in PDB 2orf: Directing Macromolecular Conformation Through Halogen Bonds

The structure of Directing Macromolecular Conformation Through Halogen Bonds, PDB code: 2orf was solved by A.R.Voth, F.A.Hays, P.S.Ho, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.16 / 1.85
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	65.890, 24.207, 37.294, 90.00, 111.02, 90.00
R / Rfree (%)	22.3 / 24.9

The structure of Directing Macromolecular Conformation Through Halogen Bonds also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Bromine atom in the Directing Macromolecular Conformation Through Halogen Bonds (pdb code 2orf). 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 Directing Macromolecular Conformation Through Halogen Bonds, PDB code: 2orf:

Bromine binding site 1 out of 1 in the Directing Macromolecular Conformation Through Halogen Bonds


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Directing Macromolecular Conformation Through Halogen Bonds within 5.0Å range: probe atom residue distance (Å) B Occ A:Br7 b:14.2 occ:0.41 BR A:BRU7 0.0 14.2 0.4 C5 A:BRU7 1.8 13.4 1.0 C4 A:BRU7 2.7 13.3 1.0 C6 A:BRU7 2.8 13.4 1.0 O4 A:BRU7 2.9 13.3 1.0 O5' A:DA6 3.0 14.3 1.0 OP1 A:DA6 3.3 14.8 1.0 P A:DA6 3.5 14.8 1.0 C5' A:DA6 3.6 13.6 1.0 OP2 A:DA6 3.6 14.4 1.0 N3 A:BRU7 4.0 13.3 1.0 N1 A:BRU7 4.1 13.3 1.0 N4 A:DC8 4.3 13.4 1.0 O A:HOH42 4.3 23.2 0.5 C3' A:DA6 4.4 13.0 1.0 O A:HOH108 4.4 21.1 1.0 C4' A:DA6 4.6 13.0 1.0 C2 A:BRU7 4.6 13.2 1.0 OP2 A:BRU7 4.9 12.8 1.0 C2' A:DA6 5.0 12.8 1.0

A.R.Voth, F.A.Hays, P.S.Ho. Directing Macromolecular Conformation Through Halogen Bonds. Proc.Natl.Acad.Sci.Usa V. 104 6188 2007.
ISSN: ISSN 0027-8424
PubMed: 17379665
DOI: 10.1073/PNAS.0610531104