Iodine in PDB 2o2b: Spectroscopic and Structural Study of the Heterotropic Linkage Between Halide and Proton Ion Binding to Gfp Proteins: E2(Gfp)-I Complex

The structure of Spectroscopic and Structural Study of the Heterotropic Linkage Between Halide and Proton Ion Binding to Gfp Proteins: E2(Gfp)-I Complex, PDB code: 2o2b was solved by G.Garau, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.66 / 1.94
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.066, 62.854, 69.110, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 23.4

The binding sites of Iodine atom in the Spectroscopic and Structural Study of the Heterotropic Linkage Between Halide and Proton Ion Binding to Gfp Proteins: E2(Gfp)-I Complex (pdb code 2o2b). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 9 binding sites of Iodine where determined in the Spectroscopic and Structural Study of the Heterotropic Linkage Between Halide and Proton Ion Binding to Gfp Proteins: E2(Gfp)-I Complex, PDB code: 2o2b:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Iodine binding site 1 out of 9 in the Spectroscopic and Structural Study of the Heterotropic Linkage Between Halide and Proton Ion Binding to Gfp Proteins: E2(Gfp)-I Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Spectroscopic and Structural Study of the Heterotropic Linkage Between Halide and Proton Ion Binding to Gfp Proteins: E2(Gfp)-I Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:I1240 b:27.5 occ:1.00 OH A:TYR1203 3.3 22.3 1.0 N A:VAL1068 3.5 19.6 1.0 N2 A:CRO1066 3.5 21.9 1.0 C1 A:CRO1066 3.6 20.4 1.0 C A:VAL1068 3.6 20.2 1.0 O A:VAL1068 3.7 19.1 1.0 CA2 A:CRO1066 3.8 21.7 1.0 N A:GLN1069 3.8 20.9 1.0 CD1 A:LEU1042 3.8 22.7 1.0 CE2 A:TYR1203 3.9 21.2 1.0 CG A:GLN1069 3.9 22.2 1.0 CA A:GLN1069 3.9 20.6 1.0 N3 A:CRO1066 3.9 20.2 1.0 C2 A:CRO1066 4.0 20.8 1.0 CB1 A:CRO1066 4.0 20.6 1.0 CZ A:TYR1203 4.1 22.6 1.0 CG2 A:VAL1068 4.1 20.1 1.0 CA1 A:CRO1066 4.1 21.3 1.0 CA A:VAL1068 4.2 20.4 1.0 OE1 A:GLU1222 4.3 23.3 0.9 CG2 A:VAL1224 4.4 18.4 1.0 CB2 A:CRO1066 4.5 21.4 1.0 CB A:GLN1069 4.5 20.8 1.0 C3 A:CRO1066 4.6 22.9 1.0 OG1 A:CRO1066 4.7 17.9 1.0 O2 A:CRO1066 4.7 22.6 1.0 CA3 A:CRO1066 4.8 20.2 1.0 CB A:VAL1068 4.8 20.1 1.0

Iodine binding site 2 out of 9 in the Spectroscopic and Structural Study of the Heterotropic Linkage Between Halide and Proton Ion Binding to Gfp Proteins: E2(Gfp)-I Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Spectroscopic and Structural Study of the Heterotropic Linkage Between Halide and Proton Ion Binding to Gfp Proteins: E2(Gfp)-I Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:I1241 b:27.3 occ:1.00 N A:LEU1207 3.6 22.2 1.0 N A:TYR1145 3.7 22.3 1.0 CA A:ASN1144 3.8 20.3 1.0 O A:HOH1307 3.9 29.0 1.0 CB A:ASN1144 3.9 20.7 1.0 CA A:ALA1206 4.0 22.7 1.0 C A:ASN1144 4.2 21.3 1.0 O A:LEU1207 4.2 19.9 1.0 O A:TYR1145 4.2 25.0 1.0 C A:ALA1206 4.3 23.0 1.0 O A:HOH1383 4.4 46.9 1.0 O A:SER1205 4.4 24.3 1.0 CA A:LEU1207 4.6 21.5 1.0 CB A:LEU1207 4.6 21.5 1.0 CA A:TYR1145 4.6 23.2 1.0 CG A:LEU1207 4.6 22.4 1.0 CB A:ALA1206 4.7 21.9 1.0 CB A:TYR1145 4.8 22.6 1.0 C A:LEU1207 4.9 21.4 1.0 C A:TYR1145 4.9 25.0 1.0 O A:TYR1143 5.0 19.5 1.0

Iodine binding site 3 out of 9 in the Spectroscopic and Structural Study of the Heterotropic Linkage Between Halide and Proton Ion Binding to Gfp Proteins: E2(Gfp)-I Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Spectroscopic and Structural Study of the Heterotropic Linkage Between Halide and Proton Ion Binding to Gfp Proteins: E2(Gfp)-I Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:I1242 b:32.3 occ:1.00 O A:HOH1271 3.3 21.1 1.0 O A:HOH1275 3.5 30.8 1.0 N A:TRP1057 3.7 19.5 1.0 CD A:PRO1058 3.8 18.8 1.0 O A:HOH1270 3.9 21.9 1.0 CA A:PRO1056 4.0 20.3 1.0 CD1 A:TYR1143 4.0 20.0 1.0 CB A:PRO1056 4.1 21.0 1.0 C A:PRO1056 4.3 20.1 1.0 CB A:TYR1143 4.4 20.6 1.0 CD1 A:TRP1057 4.4 20.5 1.0 O A:LEU1141 4.4 19.6 1.0 CB A:TRP1057 4.5 19.2 1.0 CA A:TRP1057 4.7 18.8 1.0 CA A:TYR1143 4.7 20.4 1.0 CG A:TYR1143 4.7 18.1 1.0 CG A:PRO1058 4.7 19.5 1.0 CG A:TRP1057 4.9 18.1 1.0 CE1 A:TYR1143 4.9 18.5 1.0 N A:TYR1143 4.9 21.3 1.0 N A:PRO1058 5.0 18.8 1.0

Iodine binding site 4 out of 9 in the Spectroscopic and Structural Study of the Heterotropic Linkage Between Halide and Proton Ion Binding to Gfp Proteins: E2(Gfp)-I Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Spectroscopic and Structural Study of the Heterotropic Linkage Between Halide and Proton Ion Binding to Gfp Proteins: E2(Gfp)-I Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:I1243 b:36.6 occ:0.75 O A:TYR1182 3.8 21.1 1.0 O A:GLU1095 3.9 21.8 1.0 OG1 A:THR1097 3.9 23.1 1.0 N A:THR1097 3.9 20.6 1.0 CA A:ARG1096 4.0 20.3 1.0 C A:ARG1096 4.0 20.4 1.0 C A:GLU1095 4.2 21.6 1.0 C A:TYR1182 4.2 21.3 1.0 N A:ARG1096 4.3 20.6 1.0 CG A:GLN1184 4.3 26.1 1.0 CD A:GLN1184 4.4 31.8 1.0 N A:GLN1184 4.4 20.9 1.0 CA A:GLN1183 4.4 19.8 1.0 N A:GLN1183 4.4 20.3 1.0 O A:HOH1376 4.5 31.1 0.5 OE1 A:GLN1184 4.5 35.4 1.0 C A:GLN1183 4.5 20.6 1.0 CB A:TYR1182 4.6 24.2 1.0 CB A:GLU1095 4.6 22.3 1.0 O A:ARG1096 4.6 20.6 1.0 CB A:THR1097 4.7 21.2 1.0 NE2 A:GLN1184 4.8 32.2 1.0 CB A:GLN1184 4.9 22.6 1.0 CA A:THR1097 4.9 20.7 1.0

Iodine binding site 5 out of 9 in the Spectroscopic and Structural Study of the Heterotropic Linkage Between Halide and Proton Ion Binding to Gfp Proteins: E2(Gfp)-I Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Spectroscopic and Structural Study of the Heterotropic Linkage Between Halide and Proton Ion Binding to Gfp Proteins: E2(Gfp)-I Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:I1244 b:38.2 occ:0.50 NH1 A:ARG1215 3.6 22.4 1.0 CD A:ARG1215 4.0 23.2 1.0 CA A:THR1049 4.1 23.9 1.0 CG2 A:THR1049 4.2 22.2 1.0 CB A:THR1049 4.2 23.9 1.0 O A:THR1049 4.3 26.2 1.0 CG2 A:ILE1047 4.5 21.7 1.0 CZ A:ARG1215 4.6 22.5 1.0 C A:THR1049 4.7 25.0 1.0 NE A:ARG1215 4.8 21.9 1.0

Iodine binding site 6 out of 9 in the Spectroscopic and Structural Study of the Heterotropic Linkage Between Halide and Proton Ion Binding to Gfp Proteins: E2(Gfp)-I Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Spectroscopic and Structural Study of the Heterotropic Linkage Between Halide and Proton Ion Binding to Gfp Proteins: E2(Gfp)-I Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:I1245 b:36.8 occ:0.50 O A:HOH1306 3.0 39.4 1.0 O A:HOH1356 3.5 27.3 1.0 NE2 A:HIS1077 3.6 31.3 1.0 CE1 A:HIS1077 3.7 31.2 1.0 O A:ILE1229 3.7 37.2 1.0 O A:THR1230 4.0 43.6 1.0 N A:GLY1228 4.0 27.2 1.0 CA A:ALA1227 4.1 23.4 1.0 SD A:MET1078 4.4 27.8 1.0 CB A:ALA1227 4.4 22.4 1.0 C A:THR1230 4.5 41.6 1.0 C A:ALA1227 4.5 25.0 1.0 N A:ILE1229 4.5 33.0 1.0 C A:ILE1229 4.5 36.9 1.0 CG A:PRO1075 4.6 24.8 1.0 O A:ALA1226 4.8 20.3 1.0 CD2 A:HIS1077 5.0 30.4 1.0

Iodine binding site 7 out of 9 in the Spectroscopic and Structural Study of the Heterotropic Linkage Between Halide and Proton Ion Binding to Gfp Proteins: E2(Gfp)-I Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Spectroscopic and Structural Study of the Heterotropic Linkage Between Halide and Proton Ion Binding to Gfp Proteins: E2(Gfp)-I Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:I1246 b:39.5 occ:0.50 CA A:HIS1199 3.9 22.3 1.0 C A:HIS1199 4.0 23.0 1.0 O A:HIS1199 4.0 23.3 1.0 N A:HIS1199 4.0 22.1 1.0 CD2 A:TYR1151 4.1 24.7 1.0 C A:ASN1198 4.3 23.1 1.0 CD2 A:TYR1200 4.4 26.3 1.0 CB A:ASN1198 4.5 24.0 1.0 O A:ASN1198 4.5 21.6 1.0 CE2 A:TYR1151 4.5 25.0 1.0 N A:TYR1200 4.6 22.4 1.0 CB A:TYR1200 4.9 23.2 1.0

Iodine binding site 8 out of 9 in the Spectroscopic and Structural Study of the Heterotropic Linkage Between Halide and Proton Ion Binding to Gfp Proteins: E2(Gfp)-I Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Spectroscopic and Structural Study of the Heterotropic Linkage Between Halide and Proton Ion Binding to Gfp Proteins: E2(Gfp)-I Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:I1247 b:33.4 occ:0.30 O A:HOH1279 2.5 16.0 1.0 O A:HOH1300 3.7 36.7 1.0 CE1 A:TYR1151 4.0 24.0 1.0 N A:LYS1166 4.1 21.3 1.0 CA A:PHE1165 4.1 21.2 1.0 CG A:LYS1166 4.2 26.2 1.0 CD A:LYS1166 4.2 32.0 1.0 CD1 A:TYR1151 4.3 23.8 1.0 C A:PHE1165 4.4 21.7 1.0 CB A:LYS1166 4.5 22.6 1.0 CE A:LYS1166 4.7 33.7 1.0 OD1 A:ASN1164 4.7 35.2 1.0 N A:PHE1165 5.0 21.7 1.0

Iodine binding site 9 out of 9 in the Spectroscopic and Structural Study of the Heterotropic Linkage Between Halide and Proton Ion Binding to Gfp Proteins: E2(Gfp)-I Complex


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Spectroscopic and Structural Study of the Heterotropic Linkage Between Halide and Proton Ion Binding to Gfp Proteins: E2(Gfp)-I Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:I1248 b:32.8 occ:0.40 OD2 A:ASP1180 3.4 39.0 1.0 CB A:LYS1101 3.7 20.8 1.0 CA A:LYS1101 3.8 20.8 1.0 CG A:LYS1101 4.1 22.4 1.0 N A:LYS1101 4.2 20.9 1.0 CD2 A:LEU1178 4.2 24.8 1.0 CG A:ASP1180 4.3 28.8 1.0 CB A:PHE1099 4.4 21.4 1.0 O A:PHE1099 4.4 19.5 1.0 CB A:ASP1180 4.4 22.3 1.0 CD A:LYS1101 4.5 22.9 1.0 CG A:LEU1178 4.9 20.9 1.0 C A:PHE1099 4.9 19.0 1.0 C A:PHE1100 4.9 20.2 1.0

D.Arosio, G.Garau, F.Ricci, L.Marchetti, R.Bizzarri, F.Beltram. Spectroscopic and Structural Study of Proton and Halide Ion Cooperative Binding to Gfp. Biophys.J. V. 93 232 2007.
ISSN: ISSN 0006-3495
PubMed: 17434942
DOI: 10.1529/BIOPHYSJ.106.102319