Bromine in PDB 6bgb: Crystal Structure of the 16MER Gcagncuuaagucugc Containing Brph 7- Triazolyl-8-Aza-7-Deazaadenosine

The structure of Crystal Structure of the 16MER Gcagncuuaagucugc Containing Brph 7- Triazolyl-8-Aza-7-Deazaadenosine, PDB code: 6bgb was solved by A.J.Fisher, P.A.Beal, M.M.Mumbleau, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.19 / 1.65
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	74.640, 43.150, 48.940, 90.00, 120.46, 90.00
R / Rfree (%)	21.7 / 25.6

The binding sites of Bromine atom in the Crystal Structure of the 16MER Gcagncuuaagucugc Containing Brph 7- Triazolyl-8-Aza-7-Deazaadenosine (pdb code 6bgb). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 3 binding sites of Bromine where determined in the Crystal Structure of the 16MER Gcagncuuaagucugc Containing Brph 7- Triazolyl-8-Aza-7-Deazaadenosine, PDB code: 6bgb:
Jump to Bromine binding site number: 1; 2; 3;

Bromine binding site 1 out of 3 in the Crystal Structure of the 16MER Gcagncuuaagucugc Containing Brph 7- Triazolyl-8-Aza-7-Deazaadenosine


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 16MER Gcagncuuaagucugc Containing Brph 7- Triazolyl-8-Aza-7-Deazaadenosine within 5.0Å range: probe atom residue distance (Å) B Occ A:Br5 b:0.2 occ:1.00 BR3 A:A7C5 0.0 0.2 1.0 C29 A:A7C5 1.9 0.3 1.0 C28 A:A7C5 2.8 97.3 1.0 C30 A:A7C5 2.9 99.5 1.0 C27 A:A7C5 4.1 88.1 1.0 C31 A:A7C5 4.2 90.1 1.0 C26 A:A7C5 4.7 81.7 1.0 OP1 A:G4 4.9 65.2 1.0 OP2 A:G4 4.9 58.7 1.0

Bromine binding site 2 out of 3 in the Crystal Structure of the 16MER Gcagncuuaagucugc Containing Brph 7- Triazolyl-8-Aza-7-Deazaadenosine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of the 16MER Gcagncuuaagucugc Containing Brph 7- Triazolyl-8-Aza-7-Deazaadenosine within 5.0Å range: probe atom residue distance (Å) B Occ B:Br5 b:0.3 occ:1.00 BR3 B:A7C5 0.0 0.3 1.0 C29 B:A7C5 1.9 0.6 1.0 C30 B:A7C5 2.8 98.5 1.0 C28 B:A7C5 2.9 99.2 1.0 C31 B:A7C5 4.1 89.4 1.0 C27 B:A7C5 4.2 89.7 1.0 C26 B:A7C5 4.7 82.1 1.0 OP1 B:G4 4.9 65.5 1.0

Bromine binding site 3 out of 3 in the Crystal Structure of the 16MER Gcagncuuaagucugc Containing Brph 7- Triazolyl-8-Aza-7-Deazaadenosine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of the 16MER Gcagncuuaagucugc Containing Brph 7- Triazolyl-8-Aza-7-Deazaadenosine within 5.0Å range: probe atom residue distance (Å) B Occ C:Br5 b:0.6 occ:1.00 BR3 C:A7C5 0.0 0.6 1.0 C29 C:A7C5 1.9 0.7 1.0 C30 C:A7C5 2.8 94.0 1.0 C28 C:A7C5 2.9 95.0 1.0 C31 C:A7C5 4.1 85.2 1.0 C27 C:A7C5 4.2 86.2 1.0 C26 C:A7C5 4.7 78.9 1.0 OP1 C:G4 4.9 63.4 1.0

S.R.Suter, A.Ball-Jones, M.M.Mumbleau, R.Valenzuela, J.Ibarra-Soza, H.Owens, A.J.Fisher, P.A.Beal. Controlling Mirna-Like Off-Target Effects of An Sirna with Nucleobase Modifications. Org. Biomol. Chem. V. 15 10029 2017.
ISSN: ESSN 1477-0539
PubMed: 29164215
DOI: 10.1039/C7OB02654D