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Bromine in PDB 1fuf: Crystal Structure of A 14BP Rna Oligonucleotide Containing Double Uu Bulges: A Novel Intramolecular U*(Au) Base Triple

Protein crystallography data

The structure of Crystal Structure of A 14BP Rna Oligonucleotide Containing Double Uu Bulges: A Novel Intramolecular U*(Au) Base Triple, PDB code: 1fuf was solved by J.Deng, Y.Xiong, C.Sudarsanakumar, K.Shi, M.Sundaralingam, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.70
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 60.060, 29.100, 52.570, 90.00, 120.69, 90.00
R / Rfree (%) 19.9 / 22.7

Other elements in 1fuf:

The structure of Crystal Structure of A 14BP Rna Oligonucleotide Containing Double Uu Bulges: A Novel Intramolecular U*(Au) Base Triple also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of A 14BP Rna Oligonucleotide Containing Double Uu Bulges: A Novel Intramolecular U*(Au) Base Triple (pdb code 1fuf). 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 14BP Rna Oligonucleotide Containing Double Uu Bulges: A Novel Intramolecular U*(Au) Base Triple, PDB code: 1fuf:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 1fuf

Go back to Bromine Binding Sites List in 1fuf
Bromine binding site 1 out of 2 in the Crystal Structure of A 14BP Rna Oligonucleotide Containing Double Uu Bulges: A Novel Intramolecular U*(Au) Base Triple


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 14BP Rna Oligonucleotide Containing Double Uu Bulges: A Novel Intramolecular U*(Au) Base Triple within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br13

b:39.6
occ:1.00
BR A:CBR13 0.0 39.6 1.0
C5 A:CBR13 1.9 26.3 1.0
C6 A:CBR13 2.8 26.5 1.0
C4 A:CBR13 2.9 24.9 1.0
N4 A:CBR13 3.1 23.5 1.0
N7 A:A12 3.5 25.1 1.0
C5 A:A12 3.6 24.2 1.0
C8 A:A12 3.6 25.6 1.0
O A:HOH69 3.7 42.1 1.0
OP2 A:CBR13 3.7 28.6 1.0
O A:HOH73 3.7 34.3 1.0
C4 A:A12 3.8 23.9 1.0
N9 A:A12 3.8 24.4 1.0
N1 A:CBR13 4.1 23.7 1.0
N3 A:CBR13 4.1 24.6 1.0
C6 A:A12 4.2 23.0 1.0
O A:HOH66 4.2 39.6 1.0
C3' A:A12 4.3 27.2 1.0
C2' A:A12 4.3 28.4 1.0
O5' A:CBR13 4.4 27.1 1.0
N3 A:A12 4.5 23.3 1.0
C2 A:CBR13 4.6 24.1 1.0
P A:CBR13 4.6 29.3 1.0
C1' A:A12 4.7 28.7 1.0
C5 A:C14 4.7 24.8 1.0
N6 A:A12 4.7 21.9 1.0
N4 A:C14 4.8 26.0 1.0
N1 A:A12 4.8 21.2 1.0
C2 A:A12 4.9 23.1 1.0

Bromine binding site 2 out of 2 in 1fuf

Go back to Bromine Binding Sites List in 1fuf
Bromine binding site 2 out of 2 in the Crystal Structure of A 14BP Rna Oligonucleotide Containing Double Uu Bulges: A Novel Intramolecular U*(Au) Base Triple


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 14BP Rna Oligonucleotide Containing Double Uu Bulges: A Novel Intramolecular U*(Au) Base Triple within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br27

b:42.4
occ:1.00
BR B:CBR27 0.0 42.4 1.0
C5 B:CBR27 1.9 27.0 1.0
C6 B:CBR27 2.8 24.3 1.0
C4 B:CBR27 2.9 25.4 1.0
N4 B:CBR27 3.1 20.2 1.0
O B:HOH61 3.4 34.0 1.0
O B:HOH45 3.6 34.8 1.0
N7 B:A26 3.6 26.9 1.0
OP2 B:CBR27 3.6 31.7 1.0
C5 B:A26 3.7 23.6 1.0
C8 B:A26 3.7 28.3 1.0
O B:HOH51 3.8 31.9 1.0
C4 B:A26 3.8 25.9 1.0
N9 B:A26 3.9 28.7 1.0
N1 B:CBR27 4.1 24.5 1.0
N3 B:CBR27 4.1 20.9 1.0
C2' B:A26 4.3 31.9 1.0
C3' B:A26 4.3 34.7 1.0
C6 B:A26 4.3 23.5 1.0
O5' B:CBR27 4.4 31.2 1.0
N4 B:C28 4.5 24.2 1.0
N3 B:A26 4.5 26.3 1.0
P B:CBR27 4.6 32.9 1.0
C5 B:C28 4.6 23.9 1.0
C2 B:CBR27 4.6 22.2 1.0
C1' B:A26 4.7 32.7 1.0
N6 B:A26 4.9 24.0 1.0
N1 B:A26 4.9 21.7 1.0
C4 B:C28 4.9 23.1 1.0
C2 B:A26 4.9 24.5 1.0
O3' B:A26 5.0 33.2 1.0

Reference:

J.Deng, Y.Xiong, C.Sudarsanakumar, K.Shi, M.Sundaralingam. Crystal Structures of Two Forms of A 14-Mer Rna/Dna Chimer Duplex with Double Uu Bulges: A Novel Intramolecular U*(A X U) Base Triple. Rna V. 7 1425 2001.
ISSN: ISSN 1355-8382
PubMed: 11680847
Page generated: Wed Jul 10 16:32:46 2024

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