Bromine in the structure of Hyperthermophile Chromosomal Protein SAC7D Single Mutant M29F in Complex With Dna Gcga(Ubr)Cgc (pdb 1wtp)

The binding sites of Bromine atom in the structure of Hyperthermophile Chromosomal Protein SAC7D Single Mutant M29F in Complex With Dna Gcga(Ubr)Cgc (pdb code 1wtp). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 1wtp structure was solved by C.-Y.CHEN, T.-P.KO, T.-W.LIN, C.-C.CHOU, C.-J.CHEN, A.H.-J.WANG, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 40.0-1.9 Space group P1211 a (A) 38.217 b (A) 47.889 c (A) 52.494 alpha (°) 90.00 beta (°) 102.67 gamma (°) 90.00 Rfactor (%) 22.2 Rfree (%) 28.7 Bromine Binding Sites: Bromine binding site 1 out of 4 in 1wtp Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 1wtp. 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: Da104, C: Bru105, C: Dc106, C: Hoh287, D: Hoh355, conact list: Atom Atom Distance (A) Br N9 C:Da104 3.94 Br C8 C:Da104 3.68 Br C5 C:Da104 4.26 Br C1' C:Da104 4.49 Br N7 C:Da104 3.91 Br C4 C:Da104 4.28 Br C2' C:Da104 4.01 Br N3 C:Bru105 4.10 Br C2 C:Bru105 4.65 Br C6 C:Bru105 2.74 Br N1 C:Bru105 4.07 Br C5 C:Bru105 1.78 Br C4 C:Bru105 2.85 Br BR C:Bru105 0.00 Br O4 C:Bru105 3.19 Br N4 C:Dc106 4.53 Br O C:Hoh287 3.81 Br O D:Hoh355 4.29 interactive model: Bromine binding site 2 out of 4 in 1wtp Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Bromine in the PDB 1wtp. 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: D: Da112, D: Bru113, D: Dc114, D: Hoh206, D: Hoh217, D: Hoh256, conact list: Atom Atom Distance (A) Br N9 D:Da112 4.28 Br C8 D:Da112 3.60 Br C5 D:Da112 4.35 Br N7 D:Da112 3.66 Br C4 D:Da112 4.71 Br C2' D:Da112 4.64 Br N3 D:Bru113 3.96 Br C2 D:Bru113 4.53 Br C6 D:Bru113 2.65 Br N1 D:Bru113 3.96 Br C5 D:Bru113 1.71 Br C4 D:Bru113 2.73 Br BR D:Bru113 0.00 Br O4 D:Bru113 3.05 Br C5 D:Dc114 4.79 Br C4 D:Dc114 4.55 Br N4 D:Dc114 3.83 Br O D:Hoh206 3.82 Br O D:Hoh217 3.54 Br O D:Hoh256 3.75 interactive model: Bromine binding site 3 out of 4 in 1wtp Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Bromine in the PDB 1wtp. 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: Da104, E: Bru105, F: Dg111, E: Hoh242, E: Hoh330, A: Hoh301, conact list: Atom Atom Distance (A) Br N9 E:Da104 3.94 Br C8 E:Da104 3.60 Br C5 E:Da104 4.28 Br C1' E:Da104 4.51 Br N7 E:Da104 3.84 Br C4 E:Da104 4.36 Br C2' E:Da104 4.07 Br N3 E:Bru105 3.94 Br C2 E:Bru105 4.49 Br C6 E:Bru105 2.61 Br N1 E:Bru105 3.91 Br C5 E:Bru105 1.66 Br C4 E:Bru105 2.70 Br BR E:Bru105 0.00 Br O4 E:Bru105 3.03 Br O6 F:Dg111 4.94 Br O E:Hoh242 4.73 Br O E:Hoh330 4.27 Br O A:Hoh301 4.25 interactive model: Bromine binding site 4 out of 4 in 1wtp Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Bromine in the PDB 1wtp. 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: F: Da112, F: Bru113, F: Dc114, F: Hoh227, conact list: Atom Atom Distance (A) Br N9 F:Da112 3.88 Br C8 F:Da112 3.46 Br C5 F:Da112 4.43 Br C1' F:Da112 4.43 Br N7 F:Da112 3.84 Br C4 F:Da112 4.45 Br C2' F:Da112 4.04 Br N3 F:Bru113 3.90 Br C2 F:Bru113 4.47 Br C6 F:Bru113 2.62 Br N1 F:Bru113 3.91 Br C5 F:Bru113 1.67 Br C4 F:Bru113 2.68 Br BR F:Bru113 0.00 Br O4 F:Bru113 3.00 Br C5 F:Dc114 4.55 Br C4 F:Dc114 4.34 Br N4 F:Dc114 3.69 Br O F:Hoh227 3.67 interactive model: