Bromine in PDB 4xno: Crystal Structure of 5'-Cttatpppzzzataag

The structure of Crystal Structure of 5'-Cttatpppzzzataag, PDB code: 4xno was solved by M.M.Georgiadis, I.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.23 / 1.99
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	42.019, 42.019, 140.472, 90.00, 90.00, 120.00
R / Rfree (%)	21.3 / 23.8

The binding sites of Bromine atom in the Crystal Structure of 5'-Cttatpppzzzataag (pdb code 4xno). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of 5'-Cttatpppzzzataag, PDB code: 4xno:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of 5'-Cttatpppzzzataag


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 5'-Cttatpppzzzataag within 5.0Å range: probe atom residue distance (Å) B Occ A:Br3 b:23.1 occ:0.31 BR A:BRU3 0.0 23.1 0.3 C5 A:BRU3 1.9 21.9 1.0 C6 A:BRU3 2.9 22.6 1.0 C4 A:BRU3 2.9 21.5 1.0 O4 A:BRU3 3.1 22.1 1.0 O A:HOH111 3.1 28.2 1.0 O A:HOH128 3.5 30.5 1.0 C6 A:DT2 3.6 19.0 1.0 C2' A:DT2 3.7 22.1 1.0 O A:HOH110 3.7 26.5 1.0 O A:HOH116 3.8 35.5 1.0 N1 A:DT2 3.9 22.7 1.0 C5 A:DT2 4.1 21.5 1.0 N1 A:BRU3 4.1 22.6 1.0 N3 A:BRU3 4.1 19.9 1.0 C1' A:DT2 4.2 23.3 1.0 O A:HOH124 4.4 29.1 1.0 C7 A:DT2 4.6 20.8 1.0 C2 A:DT2 4.6 17.8 1.0 C2 A:BRU3 4.6 20.3 1.0 C4 A:DT2 4.8 16.3 1.0 OP2 A:BRU3 4.8 30.1 1.0 N7 A:DA4 4.9 22.1 1.0 N3 A:DT2 4.9 16.3 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of 5'-Cttatpppzzzataag


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 5'-Cttatpppzzzataag within 5.0Å range: probe atom residue distance (Å) B Occ B:Br3 b:18.3 occ:0.55 BR B:BRU3 0.0 18.3 0.6 C5 B:BRU3 1.9 19.8 1.0 C6 B:BRU3 2.8 22.0 1.0 C4 B:BRU3 2.9 21.4 1.0 O4 B:BRU3 3.1 20.2 1.0 O B:HOH133 3.1 26.5 1.0 O B:HOH116 3.6 23.6 1.0 C6 B:DT2 3.7 18.0 1.0 C5 B:DT2 3.7 20.2 1.0 O B:HOH129 3.8 24.6 1.0 O B:HOH124 3.8 24.6 1.0 OP2 B:BRU3 3.8 24.0 1.0 N1 B:DT2 3.9 21.5 1.0 C4 B:DT2 4.0 22.4 1.0 O B:HOH140 4.1 26.4 1.0 O B:HOH114 4.1 23.7 1.0 C3' B:DT2 4.1 22.9 1.0 N1 B:BRU3 4.1 24.8 1.0 C2' B:DT2 4.1 24.5 1.0 N3 B:BRU3 4.1 21.6 1.0 C2 B:DT2 4.2 22.4 1.0 N3 B:DT2 4.2 18.2 1.0 C7 B:DT2 4.3 20.9 1.0 C1' B:DT2 4.6 20.8 1.0 C2 B:BRU3 4.6 25.1 1.0 O5' B:BRU3 4.6 25.9 1.0 P B:BRU3 4.7 28.8 1.0 O4 B:DT2 4.7 21.5 1.0 O5' B:DT2 4.8 25.2 1.0 O3' B:DT2 4.9 22.5 1.0 O2 B:DT2 4.9 20.6 1.0

M.M.Georgiadis, I.Singh, W.F.Kellett, S.Hoshika, S.A.Benner, N.G.J.Richards. Crystal Structures of Non-Natural Nucleobase Pairs in A- and B-Dna To Be Published.