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

Protein crystallography data

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

Other elements in 6jje:

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

Bromine Binding Sites:

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 6jje

Go back to Bromine Binding Sites List in 6jje
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 6jje

Go back to Bromine Binding Sites List in 6jje
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

Reference:

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.
Page generated: Sat Dec 12 02:34:18 2020

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