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Bromine in PDB 1da1: Structural Characterisation of the Bromouracil-Guanine Base Pair Mismatch in A Z-Dna Fragment

Protein crystallography data

The structure of Structural Characterisation of the Bromouracil-Guanine Base Pair Mismatch in A Z-Dna Fragment, PDB code: 1da1 was solved by T.Brown, G.Kneale, W.N.Hunter, O.Kennard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) N/A / 2.25
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 17.940, 30.850, 49.950, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Other elements in 1da1:

The structure of Structural Characterisation of the Bromouracil-Guanine Base Pair Mismatch in A Z-Dna Fragment also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the Structural Characterisation of the Bromouracil-Guanine Base Pair Mismatch in A Z-Dna Fragment (pdb code 1da1). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Structural Characterisation of the Bromouracil-Guanine Base Pair Mismatch in A Z-Dna Fragment, PDB code: 1da1:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 1da1

Go back to Bromine Binding Sites List in 1da1
Bromine binding site 1 out of 2 in the Structural Characterisation of the Bromouracil-Guanine Base Pair Mismatch in A Z-Dna Fragment


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structural Characterisation of the Bromouracil-Guanine Base Pair Mismatch in A Z-Dna Fragment within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1

b:11.6
occ:1.00
BR A:BRU1 0.0 11.6 1.0
C5 A:BRU1 1.8 7.6 1.0
C6 A:BRU1 2.7 7.2 1.0
C4 A:BRU1 2.8 8.0 1.0
O4 A:BRU1 3.1 8.8 1.0
O A:HOH47 3.7 16.2 1.0
N1 A:BRU1 4.0 7.2 1.0
N3 A:BRU1 4.1 7.5 1.0
N4 B:DC11 4.3 3.0 1.0
O6 A:DG2 4.6 2.0 1.0
C2 A:BRU1 4.6 7.5 1.0
O5' A:BRU1 4.9 5.0 1.0

Bromine binding site 2 out of 2 in 1da1

Go back to Bromine Binding Sites List in 1da1
Bromine binding site 2 out of 2 in the Structural Characterisation of the Bromouracil-Guanine Base Pair Mismatch in A Z-Dna Fragment


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structural Characterisation of the Bromouracil-Guanine Base Pair Mismatch in A Z-Dna Fragment within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br7

b:9.8
occ:1.00
BR B:BRU7 0.0 9.8 1.0
C5 B:BRU7 1.8 7.2 1.0
C6 B:BRU7 2.7 5.9 1.0
C4 B:BRU7 2.8 7.2 1.0
O4 B:BRU7 3.1 6.8 1.0
O B:HOH33 3.7 25.2 1.0
N4 A:DC5 3.9 6.8 1.0
N1 B:BRU7 4.0 7.6 1.0
N3 B:BRU7 4.1 5.8 1.0
O B:HOH56 4.2 6.5 1.0
O6 B:DG8 4.3 3.5 1.0
O B:HOH42 4.6 45.5 1.0
C2 B:BRU7 4.6 7.4 1.0
C4 A:DC5 4.8 7.6 1.0
O5' B:BRU7 4.8 3.1 1.0

Reference:

T.Brown, G.Kneale, W.N.Hunter, O.Kennard. Structural Characterisation of the Bromouracil.Guanine Base Pair Mismatch in A Z-Dna Fragment. Nucleic Acids Res. V. 14 1801 1986.
ISSN: ISSN 0305-1048
PubMed: 3951996
DOI: 10.1093/NAR/14.4.1801
Page generated: Wed Jul 10 16:23:18 2024

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