Bromine in PDB 474d: A Novel End-to-End Binding of Two Netropsins to the Dna Decamer D(Ccccciiiii)2

The structure of A Novel End-to-End Binding of Two Netropsins to the Dna Decamer D(Ccccciiiii)2, PDB code: 474d was solved by X.Chen, S.T.Rao, K.Sekar, M.Sundaralingam, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.40
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	32.660, 32.770, 37.710, 86.01, 84.37, 68.90
R / Rfree (%)	19 / 27.3

The binding sites of Bromine atom in the A Novel End-to-End Binding of Two Netropsins to the Dna Decamer D(Ccccciiiii)2 (pdb code 474d). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the A Novel End-to-End Binding of Two Netropsins to the Dna Decamer D(Ccccciiiii)2, PDB code: 474d:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in the A Novel End-to-End Binding of Two Netropsins to the Dna Decamer D(Ccccciiiii)2


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of A Novel End-to-End Binding of Two Netropsins to the Dna Decamer D(Ccccciiiii)2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br4 b:46.8 occ:1.00 BR A:CBR4 0.0 46.8 1.0 C5 A:CBR4 1.9 37.4 1.0 C6 A:CBR4 2.8 36.2 1.0 C4 A:CBR4 2.9 36.6 1.0 N4 A:CBR4 3.1 36.0 1.0 C6 A:DC3 3.8 22.7 1.0 C2' A:DC3 3.9 29.5 1.0 O A:HOH82 4.0 88.7 1.0 N1 A:CBR4 4.1 34.8 1.0 N1 A:DC3 4.1 24.0 1.0 N3 A:CBR4 4.1 34.7 1.0 C5 A:DC3 4.2 20.4 1.0 N4 A:DC5 4.2 28.5 1.0 C1' A:DC3 4.5 27.2 1.0 C2 A:CBR4 4.6 34.8 1.0 C2 A:DC3 4.7 23.0 1.0 C4 A:DC3 4.7 20.4 1.0 C4 A:DC5 4.9 27.6 1.0 N3 A:DC3 4.9 20.6 1.0 C5 A:DC5 5.0 28.6 1.0

Bromine binding site 2 out of 4 in the A Novel End-to-End Binding of Two Netropsins to the Dna Decamer D(Ccccciiiii)2


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of A Novel End-to-End Binding of Two Netropsins to the Dna Decamer D(Ccccciiiii)2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br14 b:47.6 occ:1.00 BR B:CBR14 0.0 47.6 1.0 C5 B:CBR14 1.9 40.2 1.0 C6 B:CBR14 2.8 39.9 1.0 C4 B:CBR14 2.9 38.8 1.0 N4 B:CBR14 3.1 36.0 1.0 C2' B:DC13 3.8 37.9 1.0 N4 B:DC15 4.0 32.9 1.0 N1 B:CBR14 4.1 39.6 1.0 N3 B:CBR14 4.1 38.2 1.0 C6 B:DC13 4.3 28.9 1.0 N1 B:DC13 4.3 30.1 1.0 C5 B:DC13 4.6 26.2 1.0 C2 B:DC13 4.6 28.2 1.0 C2 B:CBR14 4.6 38.8 1.0 C1' B:DC13 4.6 34.3 1.0 C4 B:DC13 4.9 26.4 1.0 C4 B:DC15 4.9 31.6 1.0 N3 B:DC13 4.9 26.6 1.0

Bromine binding site 3 out of 4 in the A Novel End-to-End Binding of Two Netropsins to the Dna Decamer D(Ccccciiiii)2


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of A Novel End-to-End Binding of Two Netropsins to the Dna Decamer D(Ccccciiiii)2 within 5.0Å range: probe atom residue distance (Å) B Occ C:Br24 b:46.4 occ:1.00 BR C:CBR24 0.0 46.4 1.0 C5 C:CBR24 1.8 37.8 1.0 C6 C:CBR24 2.8 37.8 1.0 C4 C:CBR24 2.8 37.2 1.0 N4 C:CBR24 3.0 35.6 1.0 C6 C:DC23 3.9 29.0 1.0 C2' C:DC23 3.9 36.0 1.0 N1 C:CBR24 4.0 37.6 1.0 N3 C:CBR24 4.1 36.7 1.0 N1 C:DC23 4.1 29.6 1.0 N4 C:DC25 4.2 25.4 1.0 C5 C:DC23 4.3 26.6 1.0 C1' C:DC23 4.5 33.5 1.0 C2 C:DC23 4.5 27.9 1.0 C2 C:CBR24 4.6 37.1 1.0 C4 C:DC23 4.7 25.4 1.0 N3 C:DC23 4.8 25.8 1.0 C4 C:DC25 4.9 24.5 1.0 O D:HOH58 5.0 65.4 1.0

Bromine binding site 4 out of 4 in the A Novel End-to-End Binding of Two Netropsins to the Dna Decamer D(Ccccciiiii)2


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of A Novel End-to-End Binding of Two Netropsins to the Dna Decamer D(Ccccciiiii)2 within 5.0Å range: probe atom residue distance (Å) B Occ D:Br34 b:46.4 occ:1.00 BR D:CBR34 0.0 46.4 1.0 C5 D:CBR34 1.9 40.3 1.0 C6 D:CBR34 2.8 39.6 1.0 C4 D:CBR34 2.8 40.0 1.0 N4 D:CBR34 3.0 39.3 1.0 O D:HOH67 3.9 76.2 1.0 C2' D:DC33 3.9 31.6 1.0 C6 D:DC33 3.9 24.8 1.0 N1 D:CBR34 4.1 37.9 1.0 N3 D:CBR34 4.1 39.1 1.0 N1 D:DC33 4.2 26.6 1.0 C5 D:DC33 4.2 23.8 1.0 N4 D:DC35 4.5 26.9 1.0 C1' D:DC33 4.6 29.6 1.0 C2 D:CBR34 4.6 38.3 1.0 C2 D:DC33 4.7 25.5 1.0 C4 D:DC33 4.8 24.0 1.0

X.Chen, S.N.Mitra, S.T.Rao, K.Sekar, M.Sundaralingam. A Novel End-to-End Binding of Two Netropsins to the Dna Decamers D(Ccccciiiii)2, D(CCCBR5CCIIIII)2AND D(CBR5CCCCIIIII)2. Nucleic Acids Res. V. 26 5464 1998.
ISSN: ISSN 0305-1048
PubMed: 9826773
DOI: 10.1093/NAR/26.23.5464