The binding sites of Bromine atom in the structure of Dna Minor-Groove Recognition of A Tris-Benzimidazole Drug (pdb code 459d). This binding sites where shown with 5.0 Angstroms radius around Bromine atom.
The 459d structure was solved by J.AYMAMI, C.M.NUNN, S.NEIDLE, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
| Resolution (A) | 8.0-2.3 | | Space group | P212121 | | a (A) | 25.500 | | b (A) | 40.420 | | c (A) | 65.550 | | alpha (°) | 90.00 | | beta (°) | 90.00 | | gamma (°) | 90.00 | | Rfactor (%) | 20.9 | | Rfree (%) | 28.3 |
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Bromine binding site 1 out of 1 in 459d
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Click to enlarge | 
Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 459d. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Bromine atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Dg2, A: Cbr3, A: Da4, A: Hoh1008, A: Hoh1023, A: Hoh1041, A: Hoh1112, B: Hoh1096, | conact list:
| Atom | Atom | Distance (A) | | Br | N9 A:Dg2 | 3.82 | | Br | C3' A:Dg2 | 4.91 | | Br | C8 A:Dg2 | 3.55 | | Br | C5 A:Dg2 | 4.57 | | Br | C1' A:Dg2 | 4.17 | | Br | N7 A:Dg2 | 4.05 | | Br | C4 A:Dg2 | 4.47 | | Br | C2' A:Dg2 | 3.52 | | Br | N3 A:Cbr3 | 4.14 | | Br | C2 A:Cbr3 | 4.65 | | Br | C6 A:Cbr3 | 2.83 | | Br | N1 A:Cbr3 | 4.12 | | Br | C5 A:Cbr3 | 1.88 | | Br | C4 A:Cbr3 | 2.88 | | Br | OP2 A:Cbr3 | 4.95 | | Br | BR A:Cbr3 | 0.00 | | Br | N4 A:Cbr3 | 3.13 | | Br | N6 A:Da4 | 4.85 | | Br | O A:Hoh1008 | 4.77 | | Br | O A:Hoh1023 | 3.60 | | Br | O A:Hoh1041 | 3.09 | | Br | O A:Hoh1112 | 4.59 | | Br | O B:Hoh1096 | 4.37 |
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