Bromine in the structure of Chemosensory Protein in Complex With Bromo-Dodecanol (pdb 1n8u)

The binding sites of Bromine atom in the structure of Chemosensory Protein in Complex With Bromo-Dodecanol (pdb code 1n8u). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 1n8u structure was solved by V.CAMPANACCI, A.LARTIGUE, B.M.HALLBERG, T.A.JONES, M.T.GIUDICI-ORTICONI, M.TEGONI, C.CAMBILLAU, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 38.6-1.8 Space group C121 a (A) 61.529 b (A) 54.579 c (A) 33.226 alpha (°) 90.00 beta (°) 116.59 gamma (°) 90.00 Rfactor (%) 18.4 Rfree (%) 24.6 Bromine Binding Sites: Bromine binding site 1 out of 3 in 1n8u Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 1n8u. 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: Tyr26, A: Val27, A: Val30, A: Leu43, A: Leu84, A: Bdd411, A: Bdd413, A: Hoh418, conact list: Atom Atom Distance (A) Br O A:Tyr26 3.90 Br CB A:Tyr26 4.35 Br C A:Tyr26 3.99 Br CA A:Tyr26 4.87 Br N A:Val27 3.94 Br CB A:Val27 4.49 Br CG2 A:Val27 3.90 Br C A:Val27 4.99 Br CA A:Val27 3.84 Br CB A:Val30 4.32 Br CG2 A:Val30 4.33 Br CG1 A:Val30 4.53 Br CD2 A:Leu43 4.60 Br CD1 A:Leu84 4.14 Br CD2 A:Leu84 4.40 Br CG A:Leu84 4.95 Br C9 A:Bdd411 4.38 Br C12 A:Bdd411 1.58 Br C11 A:Bdd411 2.53 Br C10 A:Bdd411 2.99 Br BR A:Bdd411 0.00 Br C6 A:Bdd413 4.96 Br C7 A:Bdd413 4.91 Br O A:Hoh418 4.60 interactive model: Bromine binding site 2 out of 3 in 1n8u Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Bromine in the PDB 1n8u. 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: Tyr8, A: Glu39, A: Glu42, A: Leu43, A: Bdd411, A: Bdd412, A: Hoh419, conact list: Atom Atom Distance (A) Br CD2 A:Tyr8 4.52 Br O A:Glu39 4.10 Br O A:Glu42 4.16 Br CB A:Glu42 3.73 Br C A:Glu42 3.83 Br CG A:Glu42 3.69 Br CA A:Glu42 4.41 Br N A:Leu43 3.61 Br CB A:Leu43 4.31 Br CA A:Leu43 3.94 Br C1 A:Bdd411 3.37 Br O1 A:Bdd411 3.80 Br C2 A:Bdd411 2.58 Br C4 A:Bdd411 4.26 Br C3 A:Bdd411 3.51 Br C9 A:Bdd412 4.81 Br C12 A:Bdd412 1.59 Br C11 A:Bdd412 2.53 Br C10 A:Bdd412 3.51 Br BR A:Bdd412 0.00 Br O A:Hoh419 4.71 interactive model: Bromine binding site 3 out of 3 in 1n8u Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Bromine in the PDB 1n8u. 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: Leu13, A: Asn61, A: Gln62, A: Gly65, A: Ala66, A: Bdd411, A: Bdd413, A: Hoh416, conact list: Atom Atom Distance (A) Br CD1 A:Leu13 4.14 Br CD2 A:Leu13 4.34 Br CG A:Leu13 4.73 Br O A:Asn61 4.42 Br O A:Gln62 4.10 Br N A:Gln62 4.99 Br CB A:Gln62 4.72 Br C A:Gln62 4.58 Br CG A:Gln62 4.63 Br CA A:Gln62 4.10 Br O A:Gly65 4.73 Br N A:Gly65 4.78 Br C A:Gly65 4.22 Br CA A:Gly65 3.94 Br N A:Ala66 4.43 Br C1 A:Bdd411 3.85 Br O1 A:Bdd411 4.97 Br C2 A:Bdd411 4.50 Br C6 A:Bdd411 4.86 Br C4 A:Bdd411 4.93 Br C3 A:Bdd411 3.90 Br C12 A:Bdd413 1.60 Br C11 A:Bdd413 2.56 Br C10 A:Bdd413 3.91 Br BR A:Bdd413 0.00 Br O A:Hoh416 2.66 interactive model: