Atomistry » Bromine » PDB 1z76-2cej » 2awe
Atomistry »
  Bromine »
    PDB 1z76-2cej »
      2awe »

Bromine in PDB 2awe: Base-Tetrad Swapping Results in Dimerization of Rna Quadruplexes: Implications For Formation of I-Motif Rna Octaplex

Protein crystallography data

The structure of Base-Tetrad Swapping Results in Dimerization of Rna Quadruplexes: Implications For Formation of I-Motif Rna Octaplex, PDB code: 2awe was solved by B.Pan, K.Shi, M.Sundaralingam, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.36 / 2.10
Space group I 41 2 2 1
Cell size a, b, c (Å), α, β, γ (°) 82.667, 82.667, 74.154, 90.00, 90.00, 90.00
R / Rfree (%) 17.2 / 22.8

Other elements in 2awe:

The structure of Base-Tetrad Swapping Results in Dimerization of Rna Quadruplexes: Implications For Formation of I-Motif Rna Octaplex also contains other interesting chemical elements:

Strontium (Sr) 1 atom
Potassium (K) 11 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Base-Tetrad Swapping Results in Dimerization of Rna Quadruplexes: Implications For Formation of I-Motif Rna Octaplex (pdb code 2awe). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 8 binding sites of Bromine where determined in the Base-Tetrad Swapping Results in Dimerization of Rna Quadruplexes: Implications For Formation of I-Motif Rna Octaplex, PDB code: 2awe:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Bromine binding site 1 out of 8 in 2awe

Go back to Bromine Binding Sites List in 2awe
Bromine binding site 1 out of 8 in the Base-Tetrad Swapping Results in Dimerization of Rna Quadruplexes: Implications For Formation of I-Motif Rna Octaplex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Base-Tetrad Swapping Results in Dimerization of Rna Quadruplexes: Implications For Formation of I-Motif Rna Octaplex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br2

b:26.3
occ:1.00
BR A:BGM2 0.0 26.3 1.0
C8 A:BGM2 2.0 15.9 1.0
N7 A:BGM2 2.9 14.1 1.0
N9 A:BGM2 2.9 16.9 1.0
O D:HOH49 3.1 37.3 1.0
C1' A:BGM2 3.4 18.3 1.0
O4' A:G3 3.5 11.5 1.0
O D:HOH97 3.5 34.6 1.0
O4' H:U1 3.6 22.6 1.0
C1' H:U1 3.7 20.1 1.0
O A:HOH222 3.8 17.1 1.0
O D:HOH105 3.9 32.8 1.0
O D:HOH17 3.9 14.1 1.0
N2 D:BGM2 4.0 13.0 1.0
C5 A:BGM2 4.0 14.8 1.0
C4 A:BGM2 4.1 15.4 1.0
N1 H:U1 4.1 18.9 1.0
C1' A:G3 4.1 11.5 1.0
N9 A:G3 4.2 10.6 1.0
N3 A:G3 4.2 6.3 1.0
C4 A:G3 4.3 9.0 1.0
O4' A:BGM2 4.3 21.5 1.0
C4' A:G3 4.4 12.9 1.0
O H:HOH165 4.5 55.9 1.0
C6 H:U1 4.6 15.6 1.0
C2' A:BGM2 4.6 18.8 1.0
C2 H:U1 4.6 17.3 1.0
C4' H:U1 4.6 25.1 1.0
O2 H:U1 4.8 19.5 1.0
C5' A:G3 4.8 12.1 1.0
C2 A:G3 4.9 7.2 1.0
C8 A:G3 4.9 11.8 1.0
C5 A:G3 5.0 8.4 1.0

Bromine binding site 2 out of 8 in 2awe

Go back to Bromine Binding Sites List in 2awe
Bromine binding site 2 out of 8 in the Base-Tetrad Swapping Results in Dimerization of Rna Quadruplexes: Implications For Formation of I-Motif Rna Octaplex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Base-Tetrad Swapping Results in Dimerization of Rna Quadruplexes: Implications For Formation of I-Motif Rna Octaplex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br2

b:29.2
occ:1.00
BR B:BGM2 0.0 29.2 1.0
C8 B:BGM2 2.0 19.7 1.0
N7 B:BGM2 3.0 18.4 1.0
N9 B:BGM2 3.0 18.7 1.0
O4' G:U1 3.4 22.9 1.0
C1' B:BGM2 3.4 17.4 1.0
O4' B:G3 3.4 19.8 1.0
O B:HOH23 3.8 17.8 1.0
C5' G:U1 4.0 23.9 1.0
C1' B:G3 4.0 16.2 1.0
N3 B:G3 4.0 12.6 1.0
O C:HOH232 4.1 33.9 1.0
C5 B:BGM2 4.1 17.0 1.0
C4 B:BGM2 4.1 17.5 1.0
O4' B:BGM2 4.1 18.3 1.0
O5' G:U1 4.1 27.6 1.0
N2 C:BGM2 4.1 19.9 1.0
N9 B:G3 4.1 15.7 1.0
C4 B:G3 4.2 13.3 1.0
C4' G:U1 4.2 25.4 1.0
C4' B:G3 4.4 21.3 1.0
C6 G:U1 4.4 15.8 1.0
C1' G:U1 4.5 21.3 1.0
N1 G:U1 4.7 18.6 1.0
C2' B:BGM2 4.7 18.8 1.0
C2 B:G3 4.8 11.1 1.0
C5' B:G3 4.9 21.1 1.0
C8 B:G3 5.0 12.8 1.0
C5 B:G3 5.0 11.1 1.0

Bromine binding site 3 out of 8 in 2awe

Go back to Bromine Binding Sites List in 2awe
Bromine binding site 3 out of 8 in the Base-Tetrad Swapping Results in Dimerization of Rna Quadruplexes: Implications For Formation of I-Motif Rna Octaplex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Base-Tetrad Swapping Results in Dimerization of Rna Quadruplexes: Implications For Formation of I-Motif Rna Octaplex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br2

b:31.8
occ:1.00
BR C:BGM2 0.0 31.8 1.0
C8 C:BGM2 2.0 20.9 1.0
N9 C:BGM2 2.9 19.3 1.0
N7 C:BGM2 2.9 19.1 1.0
O C:HOH236 3.2 32.8 1.0
C1' C:BGM2 3.3 20.5 1.0
O4' C:G3 3.6 18.5 1.0
C1' F:U1 3.7 34.8 1.0
O C:HOH240 3.8 29.8 1.0
O C:HOH229 3.9 17.4 1.0
N2 A:BGM2 4.0 17.0 1.0
C4 C:BGM2 4.0 17.9 1.0
C5 C:BGM2 4.0 17.2 1.0
O4' C:BGM2 4.1 23.1 1.0
O4' F:U1 4.1 38.0 1.0
O A:HOH237 4.1 29.6 1.0
C1' C:G3 4.2 16.4 1.0
N1 F:U1 4.2 30.7 1.0
O2 F:U1 4.3 28.2 1.0
O2' F:U1 4.4 45.3 1.0
C4' C:G3 4.4 18.0 1.0
N9 C:G3 4.4 13.6 1.0
C2 F:U1 4.4 29.3 1.0
C4' F:U1 4.4 38.7 1.0
N3 C:G3 4.5 11.1 1.0
C4 C:G3 4.5 12.8 1.0
C2' C:BGM2 4.6 20.4 1.0
C2' F:U1 4.7 39.0 1.0
C5' C:G3 4.9 19.3 1.0

Bromine binding site 4 out of 8 in 2awe

Go back to Bromine Binding Sites List in 2awe
Bromine binding site 4 out of 8 in the Base-Tetrad Swapping Results in Dimerization of Rna Quadruplexes: Implications For Formation of I-Motif Rna Octaplex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Base-Tetrad Swapping Results in Dimerization of Rna Quadruplexes: Implications For Formation of I-Motif Rna Octaplex within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br2

b:25.6
occ:1.00
BR D:BGM2 0.0 25.6 1.0
C8 D:BGM2 2.0 13.5 1.0
N7 D:BGM2 2.9 13.8 1.0
N9 D:BGM2 3.0 13.0 1.0
O4' E:U1 3.4 19.3 1.0
C1' D:BGM2 3.4 13.8 1.0
O4' D:G3 3.5 13.8 1.0
O B:HOH40 3.8 23.1 1.0
N3 D:G3 3.9 9.9 1.0
O D:HOH45 3.9 24.3 1.0
N2 B:BGM2 4.0 18.3 1.0
C4 D:G3 4.0 11.8 1.0
O4' D:BGM2 4.0 14.2 1.0
C5 D:BGM2 4.1 12.4 1.0
C1' D:G3 4.1 12.7 1.0
N9 D:G3 4.1 12.0 1.0
C4 D:BGM2 4.1 12.7 1.0
C1' E:U1 4.2 16.7 1.0
C4' E:U1 4.4 17.7 1.0
C4' D:G3 4.5 14.7 1.0
N1 E:U1 4.5 15.2 1.0
C5' E:U1 4.6 20.2 1.0
C6 E:U1 4.6 13.2 1.0
C2 D:G3 4.6 11.9 1.0
C2' D:BGM2 4.7 11.5 1.0
O5' E:U1 4.8 20.0 1.0
C5 D:G3 4.8 10.2 1.0
C8 D:G3 4.9 9.4 1.0
C5' D:G3 5.0 16.4 1.0

Bromine binding site 5 out of 8 in 2awe

Go back to Bromine Binding Sites List in 2awe
Bromine binding site 5 out of 8 in the Base-Tetrad Swapping Results in Dimerization of Rna Quadruplexes: Implications For Formation of I-Motif Rna Octaplex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Base-Tetrad Swapping Results in Dimerization of Rna Quadruplexes: Implications For Formation of I-Motif Rna Octaplex within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Br2

b:27.2
occ:1.00
BR E:BGM2 0.0 27.2 1.0
C8 E:BGM2 2.0 16.5 1.0
N7 E:BGM2 2.9 16.6 1.0
N9 E:BGM2 3.0 15.6 1.0
O E:HOH112 3.1 41.1 1.0
O4' D:U1 3.3 18.3 1.0
C1' E:BGM2 3.4 15.8 1.0
O E:HOH73 3.4 25.6 1.0
O4' E:G3 3.6 18.1 1.0
O H:HOH86 3.8 25.0 1.0
N3 E:G3 3.9 14.8 1.0
N2 H:BGM2 4.0 20.5 1.0
C4 E:G3 4.0 14.8 1.0
C1' E:G3 4.0 16.8 1.0
N9 E:G3 4.0 16.5 1.0
C5 E:BGM2 4.1 14.1 1.0
C4 E:BGM2 4.1 15.5 1.0
O4' E:BGM2 4.1 17.1 1.0
O E:HOH67 4.2 25.8 1.0
C5' D:U1 4.3 18.9 1.0
C4' D:U1 4.3 18.9 1.0
C1' D:U1 4.3 16.5 1.0
O5' D:U1 4.4 21.1 1.0
O E:HOH179 4.5 48.7 1.0
O E:HOH172 4.5 37.5 1.0
C4' E:G3 4.5 19.9 1.0
C2 E:G3 4.6 15.7 1.0
C6 D:U1 4.6 15.0 1.0
N1 D:U1 4.7 14.7 1.0
C2' E:BGM2 4.7 13.6 1.0
C5 E:G3 4.7 14.7 1.0
C8 E:G3 4.8 14.9 1.0

Bromine binding site 6 out of 8 in 2awe

Go back to Bromine Binding Sites List in 2awe
Bromine binding site 6 out of 8 in the Base-Tetrad Swapping Results in Dimerization of Rna Quadruplexes: Implications For Formation of I-Motif Rna Octaplex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Base-Tetrad Swapping Results in Dimerization of Rna Quadruplexes: Implications For Formation of I-Motif Rna Octaplex within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Br2

b:30.5
occ:1.00
BR F:BGM2 0.0 30.5 1.0
C8 F:BGM2 2.0 20.8 1.0
N7 F:BGM2 2.9 17.9 1.0
N9 F:BGM2 3.0 20.3 1.0
O G:HOH41 3.1 24.7 1.0
C1' F:BGM2 3.4 21.4 1.0
O4' F:G3 3.4 16.7 1.0
C1' C:U1 3.6 31.2 1.0
O F:HOH240 3.7 48.2 1.0
O4' C:U1 4.0 30.6 1.0
O G:HOH35 4.0 20.4 1.0
O F:HOH222 4.0 13.8 1.0
C5 F:BGM2 4.0 17.8 1.0
N1 C:U1 4.1 26.2 1.0
O2 C:U1 4.1 28.0 1.0
N2 G:BGM2 4.1 21.9 1.0
C4 F:BGM2 4.1 17.7 1.0
C1' F:G3 4.1 16.0 1.0
C2 C:U1 4.2 26.5 1.0
C4' F:G3 4.2 19.3 1.0
O4' F:BGM2 4.3 23.8 1.0
N9 F:G3 4.3 15.4 1.0
C4' C:U1 4.4 32.3 1.0
O2' C:U1 4.4 39.7 1.0
C4 F:G3 4.5 12.4 1.0
N3 F:G3 4.5 12.8 1.0
C2' C:U1 4.6 35.5 1.0
C2' F:BGM2 4.6 21.6 1.0
C5' F:G3 4.8 18.6 1.0
C6 C:U1 4.8 24.6 1.0

Bromine binding site 7 out of 8 in 2awe

Go back to Bromine Binding Sites List in 2awe
Bromine binding site 7 out of 8 in the Base-Tetrad Swapping Results in Dimerization of Rna Quadruplexes: Implications For Formation of I-Motif Rna Octaplex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Base-Tetrad Swapping Results in Dimerization of Rna Quadruplexes: Implications For Formation of I-Motif Rna Octaplex within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Br2

b:31.6
occ:1.00
BR G:BGM2 0.0 31.6 1.0
C8 G:BGM2 2.0 19.1 1.0
N7 G:BGM2 2.9 18.8 1.0
N9 G:BGM2 3.0 18.6 1.0
O E:HOH61 3.1 34.3 1.0
C1' G:BGM2 3.3 19.4 1.0
O4' G:G3 3.4 18.3 1.0
O4' B:U1 3.5 24.6 1.0
O G:HOH74 3.7 37.6 1.0
C1' B:U1 3.9 21.0 1.0
O E:HOH22 3.9 15.1 1.0
O4' G:BGM2 4.0 18.6 1.0
N2 E:BGM2 4.0 16.9 1.0
C1' G:G3 4.0 16.2 1.0
N3 G:G3 4.0 11.9 1.0
C4 G:G3 4.1 12.2 1.0
C5 G:BGM2 4.1 17.0 1.0
N9 G:G3 4.1 15.3 1.0
C4 G:BGM2 4.1 17.7 1.0
N1 B:U1 4.2 18.4 1.0
O G:HOH32 4.3 29.1 1.0
C4' G:G3 4.3 19.7 1.0
O G:HOH161 4.3 32.3 1.0
C6 B:U1 4.5 13.1 1.0
C4' B:U1 4.7 25.7 1.0
C2' G:BGM2 4.7 18.5 1.0
C2 G:G3 4.8 12.5 1.0
C8 G:G3 4.8 13.5 1.0
C5 G:G3 4.9 11.8 1.0
C5' G:G3 4.9 20.2 1.0
C2 B:U1 4.9 15.7 1.0

Bromine binding site 8 out of 8 in 2awe

Go back to Bromine Binding Sites List in 2awe
Bromine binding site 8 out of 8 in the Base-Tetrad Swapping Results in Dimerization of Rna Quadruplexes: Implications For Formation of I-Motif Rna Octaplex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Base-Tetrad Swapping Results in Dimerization of Rna Quadruplexes: Implications For Formation of I-Motif Rna Octaplex within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Br2

b:33.3
occ:1.00
BR H:BGM2 0.0 33.3 1.0
C8 H:BGM2 2.0 21.5 1.0
N9 H:BGM2 2.9 21.3 1.0
N7 H:BGM2 2.9 18.9 1.0
C1' H:BGM2 3.3 21.5 1.0
O4' A:U1 3.4 24.0 1.0
O4' H:G3 3.4 19.2 1.0
O H:HOH129 3.8 29.6 1.0
O F:HOH227 3.9 22.7 1.0
C5' A:U1 3.9 25.1 1.0
C1' H:G3 4.0 16.5 1.0
C4 H:BGM2 4.1 20.4 1.0
C5 H:BGM2 4.1 19.8 1.0
N2 F:BGM2 4.1 19.8 1.0
O4' H:BGM2 4.1 23.0 1.0
N3 H:G3 4.1 13.5 1.0
N9 H:G3 4.1 15.0 1.0
C4 H:G3 4.2 13.4 1.0
C4' A:U1 4.2 25.4 1.0
C4' H:G3 4.3 20.7 1.0
O5' A:U1 4.3 25.1 1.0
O H:HOH148 4.4 44.3 1.0
O H:HOH139 4.5 36.9 1.0
C6 A:U1 4.5 19.9 1.0
C1' A:U1 4.6 22.3 1.0
C2' H:BGM2 4.6 21.3 1.0
N1 A:U1 4.8 20.4 1.0
C5' H:G3 4.8 19.5 1.0
C2 H:G3 4.8 13.9 1.0
C8 H:G3 4.9 15.3 1.0
C5 H:G3 5.0 13.0 1.0

Reference:

B.Pan, K.Shi, M.Sundaralingam. Base-Tetrad Swapping Results in Dimerization of Rna Quadruplexes: Implications For Formation of the I-Motif Rna Octaplex. Proc.Natl.Acad.Sci.Usa V. 103 3130 2006.
ISSN: ISSN 0027-8424
PubMed: 16492787
DOI: 10.1073/PNAS.0507730103
Page generated: Mon Jul 7 04:05:04 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy