Bromine in PDB 6jje: Crystal Structure of A Two-Quartet Dna Mixed-Parallel/Antiparallel G- Quadruplex (Bru)

The structure of Crystal Structure of A Two-Quartet Dna Mixed-Parallel/Antiparallel G- Quadruplex (Bru), PDB code: 6jje was solved by Y.S.Zhang, D.G.Wei, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.49 / 1.38
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	44.786, 47.454, 37.782, 90.00, 109.96, 90.00
R / Rfree (%)	19.6 / 22.5

The structure of Crystal Structure of A Two-Quartet Dna Mixed-Parallel/Antiparallel G- Quadruplex (Bru) also contains other interesting chemical elements:

Cobalt	(Co)	3 atoms
Potassium	(K)	3 atoms
Sodium	(Na)	1 atom

The binding sites of Bromine atom in the Crystal Structure of A Two-Quartet Dna Mixed-Parallel/Antiparallel G- Quadruplex (Bru) (pdb code 6jje). 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 A Two-Quartet Dna Mixed-Parallel/Antiparallel G- Quadruplex (Bru), PDB code: 6jje:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of A Two-Quartet Dna Mixed-Parallel/Antiparallel G- Quadruplex (Bru)


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 A Two-Quartet Dna Mixed-Parallel/Antiparallel G- Quadruplex (Bru) within 5.0Å range: probe atom residue distance (Å) B Occ A:Br4 b:30.1 occ:1.00 BR A:BRU4 0.0 30.1 1.0 C5 A:BRU4 1.9 13.1 1.0 C6 A:BRU4 2.9 17.4 1.0 C4 A:BRU4 3.0 16.4 1.0 O4 A:BRU4 3.2 18.7 1.0 O A:HOH233 3.4 22.0 1.0 O A:HOH212 3.6 28.0 1.0 O A:HOH245 3.6 25.3 1.0 O A:HOH219 3.7 18.3 1.0 C6 A:DC3 3.8 21.4 1.0 O A:HOH221 3.8 39.6 1.0 C5 A:DC3 4.0 21.9 1.0 C2' A:DC3 4.0 18.0 1.0 OP1 A:DC3 4.2 28.1 1.0 N1 A:DC3 4.3 18.6 1.0 N1 A:BRU4 4.3 15.4 1.0 N3 A:BRU4 4.3 17.3 1.0 C4 A:DC3 4.7 17.8 1.0 C1' A:DC3 4.7 19.2 1.0 C2 A:BRU4 4.9 15.1 1.0 C2 A:DC3 4.9 18.7 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of A Two-Quartet Dna Mixed-Parallel/Antiparallel G- Quadruplex (Bru)


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 A Two-Quartet Dna Mixed-Parallel/Antiparallel G- Quadruplex (Bru) within 5.0Å range: probe atom residue distance (Å) B Occ B:Br4 b:79.7 occ:1.00 BR B:BRU4 0.0 79.7 1.0 C5 B:BRU4 1.9 26.3 1.0 C6 B:BRU4 3.0 26.2 1.0 C4 B:BRU4 3.0 27.0 1.0 O4 B:BRU4 3.1 35.8 1.0 O B:HOH231 3.6 31.8 1.0 C2' B:DG2 4.1 19.6 1.0 C5' B:DC3 4.3 38.7 1.0 N1 B:BRU4 4.3 26.3 1.0 N3 B:BRU4 4.3 30.0 1.0 O3' B:DG2 4.6 27.1 1.0 C3' B:DG2 4.7 25.8 1.0 OP2 B:BRU4 4.7 51.9 1.0 C2 B:BRU4 4.9 22.8 1.0

Y.S.Zhang, G.N.Parkinson, A.Wagner, D.G.Wei. Crystal Structure of A Two-Quartet Dna Mixed-Parallel/Antiparallel G-Quadruplex (Bru) To Be Published.