Bromine in PDB 4bna: Reversible Bending and Helix Geometry in A B-Dna Dodecamer: Cgcgaattbrcgcg

The structure of Reversible Bending and Helix Geometry in A B-Dna Dodecamer: Cgcgaattbrcgcg, PDB code: 4bna was solved by M.L.Kopka, A.V.Fratini, R.E.Dickerson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	24.200, 40.090, 63.950, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / n/a

The binding sites of Bromine atom in the Reversible Bending and Helix Geometry in A B-Dna Dodecamer: Cgcgaattbrcgcg (pdb code 4bna). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Reversible Bending and Helix Geometry in A B-Dna Dodecamer: Cgcgaattbrcgcg, PDB code: 4bna:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Reversible Bending and Helix Geometry in A B-Dna Dodecamer: Cgcgaattbrcgcg


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Reversible Bending and Helix Geometry in A B-Dna Dodecamer: Cgcgaattbrcgcg within 5.0Å range: probe atom residue distance (Å) B Occ A:Br9 b:27.8 occ:1.00 BR A:CBR9 0.0 27.8 1.0 C5 A:CBR9 1.9 3.8 1.0 C6 A:CBR9 2.9 1.9 1.0 C4 A:CBR9 2.9 18.3 1.0 N4 A:CBR9 3.1 11.4 1.0 C2' A:DT8 3.6 11.9 1.0 N1 A:DT8 3.9 13.6 1.0 C6 A:DT8 3.9 6.9 1.0 O A:HOH81 4.0 42.8 1.0 N1 A:CBR9 4.1 25.1 1.0 N3 A:CBR9 4.1 11.8 1.0 O A:HOH93 4.2 32.8 1.0 C2 A:DT8 4.3 12.9 1.0 C1' A:DT8 4.3 18.3 1.0 C5 A:DT8 4.3 1.5 1.0 O6 A:DG10 4.4 10.5 1.0 C2 A:CBR9 4.6 23.5 1.0 N3 A:DT8 4.7 6.4 1.0 OP2 A:CBR9 4.8 36.3 1.0 C4 A:DT8 4.8 10.3 1.0 N7 A:DG10 4.8 12.8 1.0 O2 A:DT8 4.9 26.3 1.0 C3' A:DT8 4.9 42.8 1.0

Bromine binding site 2 out of 2 in the Reversible Bending and Helix Geometry in A B-Dna Dodecamer: Cgcgaattbrcgcg


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Reversible Bending and Helix Geometry in A B-Dna Dodecamer: Cgcgaattbrcgcg within 5.0Å range: probe atom residue distance (Å) B Occ B:Br21 b:22.2 occ:1.00 BR B:CBR21 0.0 22.2 1.0 C5 B:CBR21 1.9 22.4 1.0 C4 B:CBR21 2.9 -7.0 1.0 C6 B:CBR21 2.9 26.1 1.0 O B:HOH129 2.9 33.1 1.0 N4 B:CBR21 3.0 -1.4 1.0 C6 B:DT20 3.7 -8.3 1.0 C5 B:DT20 3.8 11.0 1.0 O A:HOH88 3.9 32.1 1.0 N1 B:DT20 3.9 0.6 1.0 C2' B:DT20 4.0 10.1 1.0 O B:HOH104 4.1 31.9 1.0 N3 B:CBR21 4.1 18.9 1.0 N1 B:CBR21 4.1 3.3 1.0 O A:HOH60 4.2 31.3 1.0 C4 B:DT20 4.2 1.3 1.0 C2 B:DT20 4.3 6.2 1.0 O B:HOH33 4.3 40.9 1.0 C7 B:DT20 4.4 4.5 1.0 N3 B:DT20 4.4 12.8 1.0 C1' B:DT20 4.6 4.3 1.0 O6 B:DG22 4.6 9.3 1.0 C2 B:CBR21 4.6 42.7 1.0 N7 B:DG22 4.8 19.0 1.0 O4 B:DT20 4.9 24.8 1.0 O2 B:DT20 5.0 14.0 1.0

A.V.Fratini, M.L.Kopka, H.R.Drew, R.E.Dickerson. Reversible Bending and Helix Geometry in A B-Dna Dodecamer: Cgcgaattbrcgcg. J.Biol.Chem. V. 257 14686 1982.
ISSN: ISSN 0021-9258
PubMed: 7174662