Bromine in PDB 6bna: Binding of An Antitumor Drug to Dna. Netropsin and C-G-C-G- A-A-T-T-Brc-G-C-G

The structure of Binding of An Antitumor Drug to Dna. Netropsin and C-G-C-G- A-A-T-T-Brc-G-C-G, PDB code: 6bna was solved by M.L.Kopka, C.Yoon, D.Goodsell, P.Pjura, R.E.Dickerson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.21
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	24.270, 39.620, 63.570, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / n/a

The binding sites of Bromine atom in the Binding of An Antitumor Drug to Dna. Netropsin and C-G-C-G- A-A-T-T-Brc-G-C-G (pdb code 6bna). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Binding of An Antitumor Drug to Dna. Netropsin and C-G-C-G- A-A-T-T-Brc-G-C-G, PDB code: 6bna:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Binding of An Antitumor Drug to Dna. Netropsin and C-G-C-G- A-A-T-T-Brc-G-C-G


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Binding of An Antitumor Drug to Dna. Netropsin and C-G-C-G- A-A-T-T-Brc-G-C-G within 5.0Å range: probe atom residue distance (Å) B Occ A:Br9 b:37.6 occ:1.00 BR A:CBR9 0.0 37.6 1.0 C5 A:CBR9 1.9 5.4 1.0 C4 A:CBR9 2.8 14.7 1.0 C6 A:CBR9 2.9 12.9 1.0 N4 A:CBR9 3.0 19.1 1.0 C6 A:DT8 4.0 17.6 1.0 N3 A:CBR9 4.1 11.7 1.0 N1 A:CBR9 4.1 8.2 1.0 C2' A:DT8 4.2 4.7 1.0 C5 A:DT8 4.2 9.7 1.0 N1 A:DT8 4.4 6.8 1.0 O A:HOH94 4.5 24.4 1.0 C7 A:DT8 4.5 13.3 1.0 C2 A:CBR9 4.6 4.7 1.0 O6 A:DG10 4.7 5.2 1.0 C4 A:DT8 4.9 0.3 1.0 C1' A:DT8 4.9 1.9 1.0 C2 A:DT8 5.0 7.3 1.0

Bromine binding site 2 out of 2 in the Binding of An Antitumor Drug to Dna. Netropsin and C-G-C-G- A-A-T-T-Brc-G-C-G


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Binding of An Antitumor Drug to Dna. Netropsin and C-G-C-G- A-A-T-T-Brc-G-C-G within 5.0Å range: probe atom residue distance (Å) B Occ B:Br21 b:29.5 occ:1.00 BR B:CBR21 0.0 29.5 1.0 C5 B:CBR21 2.0 9.3 1.0 C4 B:CBR21 2.9 3.9 1.0 C6 B:CBR21 3.0 19.5 1.0 N4 B:CBR21 3.1 10.2 1.0 C6 B:DT20 4.0 3.0 1.0 C2' B:DT20 4.1 3.1 1.0 O B:HOH54 4.1 23.7 1.0 N3 B:CBR21 4.2 3.9 1.0 C5 B:DT20 4.2 7.3 1.0 N1 B:CBR21 4.2 7.7 1.0 N1 B:DT20 4.3 3.7 1.0 O B:HOH76 4.4 19.9 1.0 C7 B:DT20 4.5 14.9 1.0 O6 B:DG22 4.5 15.2 1.0 C4 B:DT20 4.7 4.6 1.0 O B:HOH41 4.7 26.3 1.0 C1' B:DT20 4.7 1.8 1.0 C2 B:DT20 4.7 10.0 1.0 C2 B:CBR21 4.7 2.3 1.0 N3 B:DT20 4.9 3.7 1.0 N7 B:DG22 5.0 15.6 1.0

M.L.Kopka, C.Yoon, D.Goodsell, P.Pjura, R.E.Dickerson. Binding of An Antitumor Drug to Dna, Netropsin and C-G-C-G-A-A-T-T-Brc-G-C-G. J.Mol.Biol. V. 183 553 1985.
ISSN: ISSN 0022-2836
PubMed: 2991536
DOI: 10.1016/0022-2836(85)90171-8