Iodine in PDB 4luh: Complex of Ovine Serum Albumin with 3,5-Diiodosalicylic Acid

The structure of Complex of Ovine Serum Albumin with 3,5-Diiodosalicylic Acid, PDB code: 4luh was solved by A.Bujacz, J.A.Talaj, A.J.Pietrzyk, G.Bujacz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.22 / 2.20
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	118.530, 118.530, 120.570, 90.00, 90.00, 120.00
R / Rfree (%)	17.1 / 20.9

The binding sites of Iodine atom in the Complex of Ovine Serum Albumin with 3,5-Diiodosalicylic Acid (pdb code 4luh). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 4 binding sites of Iodine where determined in the Complex of Ovine Serum Albumin with 3,5-Diiodosalicylic Acid, PDB code: 4luh:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in the Complex of Ovine Serum Albumin with 3,5-Diiodosalicylic Acid


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Complex of Ovine Serum Albumin with 3,5-Diiodosalicylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I601 b:98.1 occ:1.00 I1 A:DIU601 0.0 98.1 1.0 C3 A:DIU601 2.1 67.2 1.0 C4 A:DIU601 3.0 60.6 1.0 C2 A:DIU601 3.0 63.1 1.0 O3 A:DIU601 3.0 61.8 1.0 CD1 A:LEU218 3.7 48.0 1.0 CG2 A:ILE289 4.1 27.8 1.0 CG A:LEU218 4.3 46.5 1.0 CD2 A:LEU218 4.3 53.6 1.0 C5 A:DIU601 4.3 65.7 1.0 NZ A:LYS221 4.3 79.9 1.0 C1 A:DIU601 4.4 70.8 1.0 CD2 A:LEU237 4.5 37.2 1.0 NH1 A:ARG217 4.5 75.0 1.0 CZ A:PHE222 4.5 38.1 1.0 O A:ILE289 4.5 34.3 1.0 CD1 A:ILE263 4.5 28.7 1.0 NH2 A:ARG217 4.6 83.9 1.0 CE2 A:PHE222 4.7 45.6 1.0 CZ A:ARG217 4.8 85.4 1.0 CA A:ALA290 4.9 34.1 1.0 C6 A:DIU601 5.0 49.6 1.0

Iodine binding site 2 out of 4 in the Complex of Ovine Serum Albumin with 3,5-Diiodosalicylic Acid


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Complex of Ovine Serum Albumin with 3,5-Diiodosalicylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I601 b:69.3 occ:1.00 I2 A:DIU601 0.0 69.3 1.0 C5 A:DIU601 2.1 65.7 1.0 C4 A:DIU601 3.0 60.6 1.0 C6 A:DIU601 3.0 49.6 1.0 N A:ALA260 3.5 26.5 1.0 CA A:ALA260 3.5 27.4 1.0 CB A:ALA260 3.6 24.9 1.0 O A:ARG256 3.9 27.7 1.0 CG A:ARG256 4.1 29.9 1.0 C A:LEU259 4.1 30.8 1.0 CG A:LEU259 4.2 33.0 1.0 C3 A:DIU601 4.3 67.2 1.0 C1 A:DIU601 4.3 70.8 1.0 CB A:LEU259 4.3 30.4 1.0 CA A:SER286 4.3 31.9 1.0 CD1 A:ILE263 4.3 28.7 1.0 CD2 A:LEU259 4.3 27.9 1.0 CD1 A:ILE289 4.4 28.4 1.0 OG A:SER286 4.4 35.4 1.0 CB A:SER286 4.5 29.8 1.0 CG2 A:ILE289 4.5 27.8 1.0 CB A:ILE289 4.6 30.8 1.0 O A:SER286 4.6 33.9 1.0 O A:LEU259 4.7 30.2 1.0 NE A:ARG256 4.8 30.2 1.0 CA A:LEU259 4.8 29.8 1.0 C2 A:DIU601 4.9 63.1 1.0 C A:ARG256 4.9 27.5 1.0 C A:SER286 5.0 33.0 1.0 CD A:ARG256 5.0 28.2 1.0

Iodine binding site 3 out of 4 in the Complex of Ovine Serum Albumin with 3,5-Diiodosalicylic Acid


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Complex of Ovine Serum Albumin with 3,5-Diiodosalicylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I602 b:97.7 occ:1.00 I1 A:DIU602 0.0 97.7 1.0 C3 A:DIU602 2.2 96.3 1.0 C4 A:DIU602 3.1 91.1 1.0 C2 A:DIU602 3.2 84.8 1.0 O3 A:DIU602 3.4 74.2 1.0 O A:ASP450 3.5 29.4 1.0 O A:HOH906 3.5 52.6 1.0 CD2 A:LEU454 3.6 28.7 1.0 CD2 A:LEU197 3.8 30.0 1.0 CA A:ASP450 3.8 31.3 1.0 CB A:ASP450 3.9 36.7 1.0 C A:ASP450 4.0 32.3 1.0 OD1 A:ASP450 4.1 51.4 1.0 CB A:SER453 4.1 30.1 1.0 CG A:ASP450 4.2 48.1 1.0 CG A:LEU454 4.2 32.2 1.0 CZ2 A:TRP213 4.2 58.5 1.0 O A:HOH797 4.3 48.6 1.0 NE1 A:TRP213 4.4 61.8 1.0 C5 A:DIU602 4.5 86.9 1.0 C1 A:DIU602 4.5 79.4 1.0 CE2 A:TRP213 4.6 59.8 1.0 OG A:SER453 4.8 41.6 1.0 N A:LEU454 4.8 25.6 1.0 OD2 A:ASP450 4.9 56.7 1.0 CD1 A:LEU454 4.9 29.0 1.0

Iodine binding site 4 out of 4 in the Complex of Ovine Serum Albumin with 3,5-Diiodosalicylic Acid


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Complex of Ovine Serum Albumin with 3,5-Diiodosalicylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I602 b:87.5 occ:1.00 I2 A:DIU602 0.0 87.5 1.0 C5 A:DIU602 2.2 86.9 1.0 OG A:SER201 3.0 45.6 1.0 C6 A:DIU602 3.1 84.1 1.0 C4 A:DIU602 3.1 91.1 1.0 CD1 A:LEU210 3.6 30.2 1.0 CD2 A:TRP213 3.7 50.0 1.0 CG A:TRP213 3.7 49.9 1.0 CG A:LEU197 4.0 33.0 1.0 CB A:SER201 4.0 33.7 1.0 CE3 A:TRP213 4.1 54.5 1.0 CB A:TRP213 4.1 36.8 1.0 CE2 A:TRP213 4.1 59.8 1.0 CD1 A:TRP213 4.1 56.2 1.0 NE1 A:TRP213 4.4 61.8 1.0 O A:LEU197 4.4 28.6 1.0 CD2 A:LEU197 4.4 30.0 1.0 C1 A:DIU602 4.4 79.4 1.0 CD2 A:LEU480 4.4 43.8 1.0 C3 A:DIU602 4.5 96.3 1.0 CD1 A:LEU197 4.6 28.5 1.0 CA A:ARG198 4.6 30.2 1.0 CA A:LEU210 4.7 30.6 1.0 CZ3 A:TRP213 4.7 56.3 1.0 C A:LEU197 4.8 30.3 1.0 CZ2 A:TRP213 4.8 58.5 1.0 CG A:LEU210 4.9 32.6 1.0 CB A:LEU210 4.9 29.9 1.0 N A:ARG198 4.9 30.0 1.0 C2 A:DIU602 5.0 84.8 1.0

A.Bujacz, J.A.Talaj, A.J.Pietrzyk. Crystal Structure of Ovine Serum Albumin and Its Complex with 3,5-Diiodosalicylic Acid To Be Published.