Bromine in the structure of Spectroscopic And Structural Study of the Heterotropic Linkage Between Halide and Proton Ion Binding to Gfp Proteins: E2(Gfp)-Br Complex (pdb 2o29)

The binding sites of Bromine atom in the structure of Spectroscopic And Structural Study of the Heterotropic Linkage Between Halide and Proton Ion Binding to Gfp Proteins: E2(Gfp)-Br Complex (pdb code 2o29). This binding sites where shown with 5.0 Angstroms radius around Bromine atom. The 2o29 structure was solved by G.GARAU, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 15.2-1.8 Space group P212121 a (A) 51.144 b (A) 62.852 c (A) 69.172 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 17.8 Rfree (%) 20.8 Bromine Binding Sites: Bromine binding site 1 out of 4 in 2o29 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Bromine in the PDB 2o29. 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: Leu1042, A: Cro1066, A: Val1068, A: Gln1069, A: Tyr1203, A: Glu1222, A: Val1224, conact list: Atom Atom Distance (A) Br CD1 A:Leu1042 3.77 Br CA2 A:Cro1066 3.67 Br CA3 A:Cro1066 4.64 Br N3 A:Cro1066 3.79 Br N2 A:Cro1066 3.38 Br C1 A:Cro1066 3.44 Br CB1 A:Cro1066 3.92 Br C2 A:Cro1066 3.85 Br O2 A:Cro1066 4.63 Br CB2 A:Cro1066 4.43 Br OG1 A:Cro1066 4.54 Br C3 A:Cro1066 4.47 Br CA1 A:Cro1066 3.98 Br O A:Val1068 3.61 Br N A:Val1068 3.12 Br CB A:Val1068 4.57 Br CG2 A:Val1068 3.97 Br C A:Val1068 3.46 Br CA A:Val1068 3.90 Br N A:Gln1069 3.67 Br CB A:Gln1069 4.49 Br CG A:Gln1069 3.86 Br CA A:Gln1069 3.85 Br CE2 A:Tyr1203 3.82 Br CZ A:Tyr1203 3.98 Br OH A:Tyr1203 3.19 Br OE1 A:Glu1222 4.36 Br CG2 A:Val1224 4.63 interactive model: Bromine binding site 2 out of 4 in 2o29 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Bromine in the PDB 2o29. 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: Tyr1143, A: Asn1144, A: Tyr1145, A: Ser1205, A: Ala1206, A: Leu1207, A: Hoh1307, A: Hoh1383, A: Hoh1434, conact list: Atom Atom Distance (A) Br O A:Tyr1143 4.84 Br N A:Asn1144 4.96 Br CB A:Asn1144 3.81 Br C A:Asn1144 4.08 Br CA A:Asn1144 3.71 Br O A:Tyr1145 4.19 Br N A:Tyr1145 3.54 Br CB A:Tyr1145 4.73 Br C A:Tyr1145 4.84 Br CA A:Tyr1145 4.55 Br O A:Ser1205 4.28 Br C A:Ser1205 4.97 Br N A:Ala1206 4.88 Br C A:Ala1206 4.13 Br CB A:Ala1206 4.58 Br CA A:Ala1206 3.86 Br O A:Leu1207 4.04 Br N A:Leu1207 3.37 Br CB A:Leu1207 4.33 Br C A:Leu1207 4.66 Br CG A:Leu1207 4.45 Br CA A:Leu1207 4.31 Br O A:Hoh1307 3.59 Br O A:Hoh1383 4.38 Br O A:Hoh1434 3.48 interactive model: Bromine binding site 3 out of 4 in 2o29 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Bromine in the PDB 2o29. 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: Pro1056, A: Trp1057, A: Pro1058, A: Leu1141, A: Tyr1143, A: Hoh1270, A: Hoh1271, A: Hoh1275, A: Hoh1338, A: Hoh1431, A: Hoh1448, conact list: Atom Atom Distance (A) Br CB A:Pro1056 4.15 Br C A:Pro1056 4.12 Br CA A:Pro1056 3.89 Br N A:Trp1057 3.41 Br CB A:Trp1057 4.06 Br CD1 A:Trp1057 4.01 Br CG A:Trp1057 4.44 Br CA A:Trp1057 4.31 Br N A:Pro1058 4.88 Br CD A:Pro1058 3.80 Br CG A:Pro1058 4.75 Br O A:Leu1141 4.96 Br CB A:Tyr1143 4.58 Br CD1 A:Tyr1143 3.91 Br CE1 A:Tyr1143 4.70 Br CG A:Tyr1143 4.69 Br CA A:Tyr1143 4.93 Br O A:Hoh1270 4.30 Br O A:Hoh1271 3.14 Br O A:Hoh1275 3.33 Br O A:Hoh1338 4.96 Br O A:Hoh1431 3.35 Br O A:Hoh1448 3.93 interactive model: Bromine binding site 4 out of 4 in 2o29 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Bromine in the PDB 2o29. 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: Tyr1151, A: Asn1198, A: His1199, A: Tyr1200, conact list: Atom Atom Distance (A) Br CE2 A:Tyr1151 4.38 Br CD2 A:Tyr1151 4.00 Br O A:Asn1198 4.54 Br CB A:Asn1198 4.58 Br C A:Asn1198 4.25 Br O A:His1199 3.79 Br N A:His1199 3.87 Br C A:His1199 3.74 Br CA A:His1199 3.75 Br N A:Tyr1200 4.34 Br CB A:Tyr1200 4.67 Br CE2 A:Tyr1200 4.90 Br CD2 A:Tyr1200 4.05 Br CG A:Tyr1200 4.85 interactive model: