Bromine in the structure of Structures Of Endonuclease V With Dna Reveal Initiation of Deaminated Adenine Repair (pdb 2w36)

The binding sites of Bromine atom in the structure of Structures Of Endonuclease V With Dna Reveal Initiation of Deaminated Adenine Repair (pdb code 2w36). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 2w36 structure was solved by B.DALHUS, A.S.ARVAI, I.ROSNES, O.E.OLSEN, P.H.BACKE, I.ALSETH, H.GAO, W.CAO, J.A.TAINER, M.BJORAS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 50.0-2.1 Space group I222 a (A) 51.979 b (A) 132.239 c (A) 191.616 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 21.7 Rfree (%) 25.8 Bromine Binding Sites: Bromine binding site 1 out of 4 in 2w36 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 2w36. 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: C: Dc2, C: Bru3, conact list: Atom Atom Distance (A) Br C3' C:Dc2 4.56 Br C2 C:Dc2 4.99 Br C6 C:Dc2 3.39 Br N1 C:Dc2 4.00 Br C5 C:Dc2 3.90 Br C1' C:Dc2 4.23 Br C4 C:Dc2 4.90 Br C2' C:Dc2 3.32 Br N3 C:Bru3 4.12 Br C2 C:Bru3 4.68 Br C6 C:Bru3 2.78 Br N1 C:Bru3 4.08 Br C5 C:Bru3 1.87 Br C4 C:Bru3 2.88 Br OP2 C:Bru3 4.28 Br BR C:Bru3 0.00 Br O5' C:Bru3 4.80 Br O4 C:Bru3 3.17 interactive model: Bromine binding site 2 out of 4 in 2w36 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Bromine in the PDB 2w36. 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: C: Da8, C: Bru9, C: Dc10, C: Dg11, C: Hoh2010, C: Hoh2011, C: Hoh2013, conact list: Atom Atom Distance (A) Br N9 C:Da8 3.76 Br N3 C:Da8 4.81 Br C8 C:Da8 3.48 Br C6 C:Da8 4.50 Br C5 C:Da8 3.78 Br N6 C:Da8 4.95 Br C1' C:Da8 4.41 Br N7 C:Da8 3.51 Br C4 C:Da8 3.98 Br C2' C:Da8 3.95 Br N3 C:Bru9 4.12 Br C2 C:Bru9 4.68 Br C6 C:Bru9 2.80 Br N1 C:Bru9 4.10 Br C5 C:Bru9 1.88 Br C4 C:Bru9 2.88 Br BR C:Bru9 0.00 Br O4 C:Bru9 3.17 Br C4 C:Dc10 4.93 Br N4 C:Dc10 4.21 Br N2 C:Dg11 3.70 Br C2 C:Dg11 4.89 Br O C:Hoh2010 3.80 Br O C:Hoh2011 3.97 Br O C:Hoh2013 3.93 interactive model: Bromine binding site 3 out of 4 in 2w36 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Bromine in the PDB 2w36. 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: E: Dc2, E: Bru3, E: Da4, E: Hoh2002, E: Hoh2003, conact list: Atom Atom Distance (A) Br N3 E:Dc2 3.75 Br C3' E:Dc2 4.94 Br C2 E:Dc2 3.41 Br C6 E:Dc2 3.30 Br N1 E:Dc2 3.15 Br C5 E:Dc2 3.65 Br C1' E:Dc2 3.63 Br O2 E:Dc2 3.98 Br O4' E:Dc2 5.00 Br C4 E:Dc2 3.84 Br C2' E:Dc2 3.46 Br N4 E:Dc2 4.74 Br N3 E:Bru3 4.13 Br C2 E:Bru3 4.69 Br C6 E:Bru3 2.79 Br N1 E:Bru3 4.10 Br C5 E:Bru3 1.88 Br C4 E:Bru3 2.88 Br OP2 E:Bru3 4.31 Br BR E:Bru3 0.00 Br O4 E:Bru3 3.17 Br N7 E:Da4 4.86 Br O E:Hoh2002 4.56 Br O E:Hoh2003 4.70 interactive model: Bromine binding site 4 out of 4 in 2w36 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Bromine in the PDB 2w36. 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: E: Da8, E: Bru9, E: Dc10, E: Dg11, E: Hoh2007, E: Hoh2009, conact list: Atom Atom Distance (A) Br N9 E:Da8 3.95 Br N3 E:Da8 4.97 Br C8 E:Da8 3.75 Br C6 E:Da8 4.86 Br C5 E:Da8 4.11 Br C1' E:Da8 4.51 Br N7 E:Da8 3.87 Br C4 E:Da8 4.20 Br C2' E:Da8 3.94 Br N3 E:Bru9 4.15 Br C2 E:Bru9 4.71 Br C6 E:Bru9 2.80 Br N1 E:Bru9 4.11 Br C5 E:Bru9 1.90 Br C4 E:Bru9 2.92 Br BR E:Bru9 0.00 Br O4 E:Bru9 3.22 Br C4 E:Dc10 4.93 Br N4 E:Dc10 4.18 Br N2 E:Dg11 3.50 Br C2 E:Dg11 4.70 Br O E:Hoh2007 4.90 Br O E:Hoh2009 4.37 interactive model: