Iodine in PDB 1hk4: Human Serum Albumin Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L-Thyronine) and Myristic Acid (Tetradecanoic Acid)

The structure of Human Serum Albumin Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L-Thyronine) and Myristic Acid (Tetradecanoic Acid), PDB code: 1hk4 was solved by I.Petitpas, C.E.Petersen, C.E.Ha, A.A.Bhattacharya, P.A.Zunszain, J.Ghuman, N.V.Bhagavan, S.Curry, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.24 / 2.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	189.580, 38.910, 95.260, 90.00, 105.43, 90.00
R / Rfree (%)	21.6 / 26.7

The binding sites of Iodine atom in the Human Serum Albumin Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L-Thyronine) and Myristic Acid (Tetradecanoic Acid) (pdb code 1hk4). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 4 binding sites of Iodine where determined in the Human Serum Albumin Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L-Thyronine) and Myristic Acid (Tetradecanoic Acid), PDB code: 1hk4:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in the Human Serum Albumin Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L-Thyronine) and Myristic Acid (Tetradecanoic Acid)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Human Serum Albumin Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L-Thyronine) and Myristic Acid (Tetradecanoic Acid) within 5.0Å range: probe atom residue distance (Å) B Occ A:I1008 b:52.6 occ:0.28 I3 A:T441008 0.0 52.6 0.3 C3 A:T441008 2.1 48.7 0.3 C2 A:T441008 3.0 49.0 0.3 C4 A:T441008 3.1 47.3 0.3 O4 A:T441008 3.3 45.4 0.3 CB A:LYS190 3.7 43.2 1.0 C1' A:T441008 3.7 43.3 0.3 N A:ALA191 3.7 38.2 1.0 O A:ASP187 3.8 47.2 1.0 C A:LYS190 4.0 39.5 1.0 CA A:ALA191 4.0 38.9 1.0 C6' A:T441008 4.0 44.0 0.3 CB A:ALA191 4.2 37.6 1.0 C5 A:T441008 4.4 47.1 0.3 C1 A:T441008 4.4 48.4 0.3 O A:LYS190 4.4 40.4 1.0 CA A:LYS190 4.4 40.4 1.0 C2' A:T441008 4.5 42.5 0.3 CE A:LYS190 4.6 54.5 1.0 C A:ASP187 4.7 46.3 1.0 CA A:ASP187 4.8 46.3 1.0 CG A:LYS190 4.9 47.1 1.0 C6 A:T441008 4.9 47.7 0.3 CD A:LYS190 4.9 50.5 1.0

Iodine binding site 2 out of 4 in the Human Serum Albumin Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L-Thyronine) and Myristic Acid (Tetradecanoic Acid)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Human Serum Albumin Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L-Thyronine) and Myristic Acid (Tetradecanoic Acid) within 5.0Å range: probe atom residue distance (Å) B Occ A:I1008 b:37.8 occ:0.28 I3' A:T441008 0.0 37.8 0.3 C3' A:T441008 2.1 41.8 0.3 C2' A:T441008 3.0 42.5 0.3 C4' A:T441008 3.1 43.1 0.3 O4' A:T441008 3.2 42.7 0.3 CE A:LYS195 3.4 58.5 1.0 O A:ASP451 3.7 46.6 1.0 NZ A:LYS195 3.7 61.0 1.0 CA A:TYR452 3.8 47.9 1.0 C A:ASP451 3.8 47.0 1.0 CD1 A:TYR452 3.9 56.0 1.0 N A:TYR452 3.9 47.5 1.0 CG A:TYR452 4.0 53.7 1.0 CE1 A:TYR452 4.1 57.2 1.0 CD2 A:TYR452 4.3 55.8 1.0 CB A:ALA191 4.3 37.6 1.0 CB A:ASP451 4.3 52.8 1.0 C5' A:T441008 4.4 43.4 0.3 C1' A:T441008 4.4 43.3 0.3 CZ A:TYR452 4.4 57.6 1.0 CB A:TYR452 4.5 50.8 1.0 CE2 A:TYR452 4.5 56.7 1.0 CG2 A:VAL455 4.6 43.0 1.0 CA A:ASP451 4.7 47.6 1.0 CD A:LYS195 4.8 55.0 1.0 C6' A:T441008 4.9 44.0 0.3 C A:TYR452 4.9 45.6 1.0

Iodine binding site 3 out of 4 in the Human Serum Albumin Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L-Thyronine) and Myristic Acid (Tetradecanoic Acid)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Human Serum Albumin Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L-Thyronine) and Myristic Acid (Tetradecanoic Acid) within 5.0Å range: probe atom residue distance (Å) B Occ A:I1008 b:44.3 occ:0.28 I5 A:T441008 0.0 44.3 0.3 C5 A:T441008 2.1 47.1 0.3 C4 A:T441008 3.0 47.3 0.3 C6 A:T441008 3.1 47.7 0.3 O A:ASN429 3.2 46.6 1.0 O4 A:T441008 3.2 45.4 0.3 CB A:LYS432 3.5 54.2 1.0 CD A:LYS432 3.8 60.2 1.0 CA A:ASN429 3.8 47.6 1.0 C1' A:T441008 3.8 43.3 0.3 CB A:ASN429 3.9 48.9 1.0 C A:ASN429 3.9 48.8 1.0 CG2 A:VAL433 4.1 48.9 1.0 CG A:LYS432 4.2 57.5 1.0 C6' A:T441008 4.2 44.0 0.3 N A:VAL433 4.3 50.9 1.0 C3 A:T441008 4.4 48.7 0.3 C1 A:T441008 4.4 48.4 0.3 OD1 A:ASN429 4.5 51.0 1.0 CG A:ASN429 4.5 51.4 1.0 CG2 A:VAL456 4.5 40.2 1.0 C2' A:T441008 4.7 42.5 0.3 CD1 A:TYR452 4.7 56.0 1.0 CA A:LYS432 4.7 52.3 1.0 C A:LYS432 4.8 51.4 1.0 C2 A:T441008 4.9 49.0 0.3 CE A:LYS432 5.0 61.9 1.0

Iodine binding site 4 out of 4 in the Human Serum Albumin Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L-Thyronine) and Myristic Acid (Tetradecanoic Acid)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Human Serum Albumin Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L-Thyronine) and Myristic Acid (Tetradecanoic Acid) within 5.0Å range: probe atom residue distance (Å) B Occ A:I1008 b:48.8 occ:0.28 I5' A:T441008 0.0 48.8 0.3 C5' A:T441008 2.1 43.4 0.3 C6' A:T441008 3.0 44.0 0.3 C4' A:T441008 3.0 43.1 0.3 O4' A:T441008 3.2 42.7 0.3 NZ A:LYS436 3.2 70.5 1.0 N A:GLU188 3.7 43.7 1.0 CB A:ASP187 3.8 48.4 1.0 C A:ASP187 3.9 46.3 1.0 CA A:GLU188 3.9 43.4 1.0 O A:ASP187 4.2 47.2 1.0 C1' A:T441008 4.3 43.3 0.3 C3' A:T441008 4.4 41.8 0.3 CB A:GLU188 4.4 45.9 1.0 CA A:ASP187 4.5 46.3 1.0 CE A:LYS436 4.5 70.8 1.0 O A:GLU184 4.6 46.5 1.0 CE1 A:TYR452 4.7 57.2 1.0 CG A:GLU188 4.8 51.6 1.0 C2' A:T441008 4.9 42.5 0.3 OH A:TYR452 4.9 57.4 1.0 CG A:ASP187 5.0 50.7 1.0

I.Petitpas, C.E.Petersen, C.E.Ha, A.A.Bhattacharya, P.A.Zunszain, J.Ghuman, N.V.Bhagavan, S.Curry. Structural Basis of Albumin-Thyroxine Interactions and Familial Dysalbuminemic Hyperthyroxinemia Proc.Natl.Acad.Sci.Usa V. 100 6440 2003.
ISSN: ISSN 0027-8424
PubMed: 12743361
DOI: 10.1073/PNAS.1137188100