Iodine in PDB 5osw: Structure of Caprine Serum Albumin in Complex with 3,5-Diiodosalicylic Acid

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

Resolution Low / High (Å)	50.01 / 1.78
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.420, 66.060, 213.590, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 24.1

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 14;

Binding sites:

The binding sites of Iodine atom in the Structure of Caprine Serum Albumin in Complex with 3,5-Diiodosalicylic Acid (pdb code 5osw). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 14 binding sites of Iodine where determined in the Structure of Caprine Serum Albumin in Complex with 3,5-Diiodosalicylic Acid, PDB code: 5osw:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 14 in the Structure of Caprine Serum Albumin in Complex 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 Structure of Caprine Serum Albumin in Complex with 3,5-Diiodosalicylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I601 b:51.7 occ:1.00 I1 A:DIU601 0.0 51.7 1.0 C3 A:DIU601 2.1 35.1 1.0 NZ A:LYS221 2.8 37.9 1.0 CD2 A:LEU218 2.9 25.6 1.0 C4 A:DIU601 3.0 28.3 1.0 C2 A:DIU601 3.1 37.0 1.0 O3 A:DIU601 3.3 46.7 1.0 CE A:LYS221 3.9 38.0 1.0 CG A:LEU218 4.0 21.2 1.0 CE2 A:PHE222 4.1 29.8 1.0 CG2 A:ILE289 4.2 19.9 1.0 CD1 A:LEU218 4.3 24.2 1.0 C5 A:DIU601 4.3 33.1 1.0 CZ A:PHE222 4.4 27.4 1.0 O A:ILE289 4.4 23.1 1.0 C1 A:DIU601 4.4 34.2 1.0 CD A:LYS221 4.5 33.7 1.0 CD1 A:ILE263 4.5 20.2 1.0 NH1 A:ARG217 4.5 50.7 1.0 CD2 A:LEU237 4.7 24.0 1.0 C A:ILE289 4.9 21.1 1.0 C6 A:DIU601 4.9 31.9 1.0 CA A:ALA290 4.9 22.4 1.0 CG2 A:ILE233 5.0 25.6 1.0

Iodine binding site 2 out of 14 in the Structure of Caprine Serum Albumin in Complex 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 Structure of Caprine Serum Albumin in Complex with 3,5-Diiodosalicylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I601 b:36.1 occ:1.00 I2 A:DIU601 0.0 36.1 1.0 C5 A:DIU601 2.1 33.1 1.0 C6 A:DIU601 3.0 31.9 1.0 C4 A:DIU601 3.0 28.3 1.0 CA A:ALA260 3.8 20.7 1.0 N A:ALA260 3.8 23.1 1.0 CB A:ALA260 3.8 18.6 1.0 O A:ARG256 3.8 24.8 1.0 CG A:LEU259 4.0 23.8 1.0 CD2 A:LEU259 4.1 26.3 1.0 CG A:ARG256 4.2 23.0 1.0 CB A:LEU259 4.2 22.9 1.0 C A:LEU259 4.2 22.2 1.0 C3 A:DIU601 4.3 35.1 1.0 C1 A:DIU601 4.3 34.2 1.0 CD1 A:ILE289 4.4 19.7 1.0 CA A:SER286 4.5 21.7 1.0 OG A:SER286 4.5 23.0 1.0 CB A:SER286 4.5 21.7 1.0 CD1 A:ILE263 4.5 20.2 1.0 CG2 A:ILE289 4.5 19.9 1.0 O A:LEU259 4.6 20.7 1.0 CB A:ILE289 4.6 18.2 1.0 O A:SER286 4.7 20.0 1.0 C A:ARG256 4.7 22.2 1.0 C2 A:DIU601 4.9 37.0 1.0 CA A:LEU259 4.9 22.4 1.0 NE A:ARG256 5.0 23.5 1.0

Iodine binding site 3 out of 14 in the Structure of Caprine Serum Albumin in Complex 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 Structure of Caprine Serum Albumin in Complex with 3,5-Diiodosalicylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I602 b:46.7 occ:1.00 I1 A:DIU602 0.0 46.7 1.0 C3 A:DIU602 2.2 43.6 1.0 C2 A:DIU602 3.1 45.1 1.0 C4 A:DIU602 3.2 40.2 1.0 O3 A:DIU602 3.2 42.0 1.0 O A:ASP450 3.3 22.0 1.0 CH2 A:TRP213 3.5 42.6 1.0 CD2 A:LEU454 3.8 22.2 1.0 CZ2 A:TRP213 3.8 40.3 1.0 CA A:ASP450 3.9 23.0 1.0 CB A:SER453 3.9 23.4 1.0 CD2 A:LEU197 4.0 24.5 1.0 C A:ASP450 4.0 21.4 1.0 CB A:ASP450 4.2 23.1 1.0 CG A:LEU454 4.2 21.7 1.0 O A:HOH1137 4.2 39.7 1.0 OD1 A:ASP450 4.3 25.9 1.0 CZ3 A:TRP213 4.3 41.6 1.0 CG A:ASP450 4.4 26.4 1.0 C1 A:DIU602 4.5 50.2 1.0 OG A:SER453 4.5 27.2 1.0 C5 A:DIU602 4.6 41.8 1.0 N A:LEU454 4.8 20.3 1.0 CE2 A:TRP213 4.8 35.7 1.0

Iodine binding site 4 out of 14 in the Structure of Caprine Serum Albumin in Complex 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 Structure of Caprine Serum Albumin in Complex with 3,5-Diiodosalicylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I602 b:42.8 occ:1.00 I2 A:DIU602 0.0 42.8 1.0 C5 A:DIU602 2.2 41.8 1.0 C6 A:DIU602 3.2 51.4 1.0 C4 A:DIU602 3.2 40.2 1.0 C16 A:JEF608 3.7 54.2 1.0 CD1 A:LEU210 3.9 25.9 1.0 OG A:SER201 3.9 34.3 1.0 CB A:TRP213 4.0 23.6 1.0 CB A:SER201 4.0 28.3 1.0 CG A:TRP213 4.1 30.1 1.0 CG A:LEU197 4.3 21.1 1.0 CD2 A:TRP213 4.3 29.9 1.0 C14 A:JEF608 4.3 37.5 1.0 N1 A:JEF608 4.3 55.2 1.0 CE3 A:TRP213 4.4 34.1 1.0 C1 A:DIU602 4.5 50.2 1.0 CD2 A:LEU480 4.5 31.4 1.0 O A:LEU197 4.5 20.3 1.0 O6 A:JEF608 4.6 46.5 1.0 C30 A:JEF608 4.6 50.9 1.0 C3 A:DIU602 4.6 43.6 1.0 CA A:ARG198 4.6 22.4 1.0 CD1 A:LEU197 4.6 19.8 1.0 CD2 A:LEU197 4.6 24.5 1.0 CA A:LEU210 4.7 26.0 1.0 CD1 A:TRP213 4.8 36.9 1.0 N A:ARG198 4.9 22.7 1.0 C A:LEU197 4.9 20.6 1.0

Iodine binding site 5 out of 14 in the Structure of Caprine Serum Albumin in Complex 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 5 of Structure of Caprine Serum Albumin in Complex with 3,5-Diiodosalicylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I603 b:38.6 occ:1.00 I1 A:DIU603 0.0 38.6 1.0 C3 A:DIU603 2.1 41.2 1.0 C4 A:DIU603 3.0 34.8 1.0 C2 A:DIU603 3.1 42.1 1.0 O3 A:DIU603 3.2 42.7 1.0 CB A:ASN390 3.8 24.1 1.0 CG1 A:VAL432 4.1 23.0 1.0 SG A:CYS391 4.1 24.8 1.0 O A:HOH1069 4.3 29.6 1.0 CG2 A:THR448 4.3 22.8 1.0 C5 A:DIU603 4.4 33.6 1.0 CA A:ILE387 4.4 21.8 1.0 C1 A:DIU603 4.5 33.5 1.0 O A:ILE387 4.5 21.5 1.0 N A:CYS391 4.5 22.9 1.0 SG A:CYS437 4.5 24.9 1.0 C A:ASN390 4.7 21.3 1.0 CB A:THR448 4.7 23.7 1.0 CG2 A:VAL432 4.7 19.9 1.0 CA A:ASN390 4.8 22.2 1.0 CG A:ASN390 4.8 25.8 1.0 CG1 A:ILE387 4.8 20.4 1.0 CZ A:PHE402 4.9 28.6 1.0 O A:LEU386 5.0 22.8 1.0 C6 A:DIU603 5.0 35.2 1.0 C A:ILE387 5.0 22.2 1.0

Iodine binding site 6 out of 14 in the Structure of Caprine Serum Albumin in Complex 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 6 of Structure of Caprine Serum Albumin in Complex with 3,5-Diiodosalicylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I603 b:35.4 occ:1.00 I2 A:DIU603 0.0 35.4 1.0 C5 A:DIU603 2.1 33.6 1.0 C4 A:DIU603 3.0 34.8 1.0 C6 A:DIU603 3.1 35.2 1.0 NE A:ARG484 3.6 21.0 1.0 CZ A:ARG484 3.7 20.6 1.0 CD A:GLU449 3.8 24.3 1.0 OE1 A:GLU449 3.8 24.9 1.0 NH2 A:ARG484 3.8 19.4 1.0 CB A:PRO383 4.1 22.3 1.0 CG1 A:ILE387 4.2 20.4 1.0 CG A:GLU449 4.2 22.4 1.0 CD A:ARG484 4.2 19.3 1.0 OG1 A:THR448 4.2 25.4 1.0 OE2 A:GLU449 4.3 23.3 1.0 O A:PRO383 4.3 21.8 1.0 C3 A:DIU603 4.3 41.2 1.0 C1 A:DIU603 4.4 33.5 1.0 NH1 A:ARG484 4.4 20.5 1.0 CD2 A:LEU386 4.4 34.9 1.0 CD1 A:LEU452 4.4 21.5 1.0 CA A:PRO383 4.4 22.8 1.0 CB A:LEU386 4.4 28.5 1.0 CD1 A:ILE387 4.4 22.6 1.0 C A:PRO383 4.8 22.7 1.0 CG A:LEU386 4.8 35.0 1.0 CB A:THR448 4.8 23.7 1.0 C2 A:DIU603 4.9 42.1 1.0 N A:ILE387 4.9 21.9 1.0

Iodine binding site 7 out of 14 in the Structure of Caprine Serum Albumin in Complex 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 7 of Structure of Caprine Serum Albumin in Complex with 3,5-Diiodosalicylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I604 b:52.8 occ:0.60 I1 A:DIU604 0.0 52.8 0.6 I2 A:DIU604 1.7 44.8 0.4 C3 A:DIU604 2.1 63.4 0.6 C4 A:DIU604 3.0 76.3 0.6 C2 A:DIU604 3.1 67.9 0.6 SD A:MET184 3.2 46.5 1.0 O3 A:DIU604 3.3 68.4 0.6 CG A:MET184 3.5 40.3 1.0 C5 A:DIU604 3.5 52.8 0.4 CD1 A:TYR160 3.6 44.0 1.0 CB A:MET184 3.6 41.8 1.0 OH A:TYR137 3.8 34.5 1.0 CE1 A:TYR160 3.9 49.2 1.0 C4 A:DIU604 4.0 54.8 0.4 CE1 A:TYR137 4.1 42.8 1.0 O A:ILE181 4.2 52.3 1.0 N A:ARG185 4.2 33.3 1.0 CZ A:TYR137 4.3 36.4 1.0 CD1 A:ILE181 4.3 52.6 1.0 C A:MET184 4.3 36.7 1.0 C5 A:DIU604 4.4 76.1 0.6 C1 A:DIU604 4.5 71.6 0.6 CE A:MET184 4.6 44.1 1.0 CG2 A:VAL188 4.6 24.9 1.0 C6 A:DIU604 4.6 40.3 0.4 CA A:MET184 4.6 37.3 1.0 CG A:TYR160 4.6 38.6 1.0 CA A:ARG185 4.7 39.6 1.0 CG2 A:ILE181 4.8 54.8 1.0 O A:MET184 4.9 38.5 1.0 CA A:ILE181 4.9 51.5 1.0 C6 A:DIU604 4.9 73.8 0.6 CB A:TYR160 5.0 34.5 1.0

Iodine binding site 8 out of 14 in the Structure of Caprine Serum Albumin in Complex 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 8 of Structure of Caprine Serum Albumin in Complex with 3,5-Diiodosalicylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I604 b:53.8 occ:0.40 I1 A:DIU604 0.0 53.8 0.4 C3 A:DIU604 2.1 56.1 0.4 C4 A:DIU604 3.0 54.8 0.4 C2 A:DIU604 3.1 50.1 0.4 O A:HOH1102 3.2 43.5 1.0 O3 A:DIU604 3.3 35.4 0.4 C6 A:DIU604 3.7 73.8 0.6 C5 A:DIU604 3.7 76.1 0.6 CB A:GLU140 3.9 37.7 1.0 CD1 A:TYR137 3.9 40.0 1.0 I2 A:DIU604 4.0 76.0 0.6 OH A:TYR160 4.2 40.1 1.0 CE1 A:TYR137 4.3 42.8 1.0 C5 A:DIU604 4.4 52.8 0.4 C1 A:DIU604 4.4 71.6 0.6 C1 A:DIU604 4.5 51.2 0.4 C4 A:DIU604 4.5 76.3 0.6 CG A:GLU140 4.5 43.7 1.0 CG2 A:VAL141 4.7 35.5 1.0 CZ A:TYR160 4.8 45.8 1.0 CA A:TYR137 4.8 42.4 1.0 O A:HOH1089 4.9 56.7 1.0 C6 A:DIU604 4.9 40.3 0.4 CG A:TYR137 5.0 39.1 1.0

Iodine binding site 9 out of 14 in the Structure of Caprine Serum Albumin in Complex 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 9 of Structure of Caprine Serum Albumin in Complex with 3,5-Diiodosalicylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I604 b:76.0 occ:0.60 I2 A:DIU604 0.0 76.0 0.6 C5 A:DIU604 2.1 76.1 0.6 C4 A:DIU604 3.0 76.3 0.6 C6 A:DIU604 3.1 73.8 0.6 O A:HOH1089 3.1 56.7 1.0 OH A:TYR160 3.5 40.1 1.0 CB A:PRO117 3.7 64.5 1.0 C4 A:DIU604 3.9 54.8 0.4 I1 A:DIU604 4.0 53.8 0.4 C3 A:DIU604 4.1 56.1 0.4 CA A:PRO117 4.2 70.4 1.0 C3 A:DIU604 4.4 63.4 0.6 C1 A:DIU604 4.4 71.6 0.6 CG A:PRO117 4.4 56.5 1.0 CZ A:TYR160 4.4 45.8 1.0 CG2 A:ILE181 4.4 54.8 1.0 CD A:PRO117 4.5 62.2 1.0 CD1 A:LEU122 4.5 54.3 1.0 CE1 A:TYR160 4.5 49.2 1.0 N A:PRO117 4.5 66.5 1.0 O A:HOH1118 4.6 57.5 1.0 O A:LEU115 4.7 91.7 1.0 C5 A:DIU604 4.7 52.8 0.4 C2 A:DIU604 4.9 67.9 0.6

Iodine binding site 10 out of 14 in the Structure of Caprine Serum Albumin in Complex 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 10 of Structure of Caprine Serum Albumin in Complex with 3,5-Diiodosalicylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:I604 b:44.8 occ:0.40 I2 A:DIU604 0.0 44.8 0.4 C3 A:DIU604 1.1 63.4 0.6 C2 A:DIU604 1.5 67.9 0.6 I1 A:DIU604 1.7 52.8 0.6 O3 A:DIU604 1.8 68.4 0.6 C5 A:DIU604 2.1 52.8 0.4 C4 A:DIU604 2.5 76.3 0.6 C1 A:DIU604 2.9 71.6 0.6 C4 A:DIU604 3.0 54.8 0.4 C6 A:DIU604 3.0 40.3 0.4 C5 A:DIU604 3.4 76.1 0.6 C6 A:DIU604 3.6 73.8 0.6 CA A:ARG185 3.8 39.6 1.0 N A:ARG185 3.8 33.3 1.0 CB A:ARG185 4.0 45.5 1.0 O A:ILE181 4.0 52.3 1.0 C A:DIU604 4.0 70.6 0.6 OH A:TYR137 4.1 34.5 1.0 CE1 A:TYR137 4.3 42.8 1.0 O2 A:DIU604 4.3 52.5 0.6 C3 A:DIU604 4.3 56.1 0.4 C1 A:DIU604 4.4 51.2 0.4 C A:MET184 4.4 36.7 1.0 CG A:ARG185 4.4 51.5 1.0 CG2 A:VAL188 4.5 24.9 1.0 CB A:MET184 4.6 41.8 1.0 CG A:MET184 4.6 40.3 1.0 CG2 A:ILE181 4.6 54.8 1.0 CZ A:TYR137 4.7 36.4 1.0 SD A:MET184 4.7 46.5 1.0 CE1 A:TYR160 4.7 49.2 1.0 CD1 A:TYR160 4.8 44.0 1.0 O A:MET184 4.8 38.5 1.0 CB A:VAL188 4.9 24.6 1.0 C2 A:DIU604 4.9 50.1 0.4

A.Bujacz, J.A.Talaj, K.Zielinski, A.J.Pietrzyk-Brzezinska, P.Neumann. Crystal Structures of Serum Albumins From Domesticated Ruminants and Their Complexes with 3,5-Diiodosalicylic Acid. Acta Crystallogr D Struct V. 73 896 2017BIOL.
ISSN: ISSN 2059-7983
PubMed: 29095162
DOI: 10.1107/S205979831701470X