Bromine in the structure of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 With 1,3-Propanediol, A Product Of Debromidation of Dibrompropane, At 2.0A Resolution (pdb 1d07)

The binding sites of Bromine atom in the structure of Hydrolytic Haloalkane Dehalogenase Linb From Sphingomonas Paucimobilis UT26 With 1,3-Propanediol, A Product Of Debromidation of Dibrompropane, At 2.0A Resolution (pdb code 1d07). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 1d07 structure was solved by J.MAREK, J.VEVODOVA, J.DAMBORSKY, I.SMATANOVA, L.A.SVENSSON, J.NEWMAN, Y.NAGATA, M.TAKAGI, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-2.0 Space group P21212 a (A) 50.227 b (A) 71.721 c (A) 73.319 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 16.9 Rfree (%) 27.4 Bromine Binding Sites: Bromine binding site 1 out of 2 in 1d07 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 1d07. 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: Asn38, A: Asp108, A: Trp109, A: Phe151, A: Phe169, A: Trp207, A: Pro208, A: Ile211, A: Pdo903, conact list: Atom Atom Distance (A) Br CB A:Asn38 4.12 Br ND2 A:Asn38 3.66 Br CG A:Asn38 4.40 Br OD2 A:Asp108 4.68 Br OD1 A:Asp108 4.71 Br CD1 A:Trp109 3.91 Br CE2 A:Trp109 4.78 Br NE1 A:Trp109 3.50 Br CE2 A:Phe151 4.00 Br CD2 A:Phe151 4.98 Br CZ A:Phe151 4.65 Br CE2 A:Phe169 3.87 Br CZ A:Phe169 3.57 Br CE1 A:Phe169 4.57 Br CB A:Trp207 4.15 Br C A:Trp207 3.93 Br CA A:Trp207 4.68 Br O A:Trp207 4.27 Br N A:Pro208 3.52 Br CB A:Pro208 3.93 Br CD A:Pro208 3.81 Br CG A:Pro208 4.49 Br CA A:Pro208 3.60 Br CD1 A:Ile211 3.93 Br CG1 A:Ile211 4.31 Br C3 A:Pdo903 3.18 Br O3 A:Pdo903 4.44 Br C2 A:Pdo903 3.77 Br C1 A:Pdo903 4.54 interactive model: Bromine binding site 2 out of 2 in 1d07 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Bromine in the PDB 1d07. 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: Pro175, A: Gly176, A: Leu177, A: Ile178, A: Leu179, A: Arg180, A: Hoh1007, A: Hoh1028, A: Hoh1041, conact list: Atom Atom Distance (A) Br O A:Pro175 2.44 Br CB A:Pro175 4.90 Br C A:Pro175 3.50 Br CA A:Pro175 4.49 Br O A:Gly176 4.78 Br N A:Gly176 4.28 Br C A:Gly176 4.44 Br CA A:Gly176 4.32 Br N A:Leu177 4.76 Br O A:Ile178 2.44 Br N A:Ile178 4.21 Br CB A:Ile178 4.60 Br C A:Ile178 3.64 Br CA A:Ile178 4.36 Br N A:Leu179 4.65 Br C A:Leu179 4.83 Br CA A:Leu179 4.82 Br O A:Arg180 4.50 Br O A:Hoh1007 2.28 Br O A:Hoh1028 2.67 Br O A:Hoh1041 4.56 interactive model: