Iodine in PDB 1hk5: Human Serum Albumin Mutant R218H Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L-Thyronine) and Myristic Acid (Tetradecanoic Acid)

The structure of Human Serum Albumin Mutant R218H Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L-Thyronine) and Myristic Acid (Tetradecanoic Acid), PDB code: 1hk5 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)	38.19 / 2.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	190.140, 39.040, 96.230, 90.00, 105.07, 90.00
R / Rfree (%)	19.9 / 25.9

The binding sites of Iodine atom in the Human Serum Albumin Mutant R218H Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L-Thyronine) and Myristic Acid (Tetradecanoic Acid) (pdb code 1hk5). 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 Mutant R218H Complexed with Thyroxine (3,3',5,5'-Tetraiodo-L-Thyronine) and Myristic Acid (Tetradecanoic Acid), PDB code: 1hk5:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in the Human Serum Albumin Mutant R218H 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 Mutant R218H 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:42.8 occ:0.28 I3 A:T441008 0.0 42.8 0.3 C3 A:T441008 2.1 38.1 0.3 C2 A:T441008 3.0 39.0 0.3 C4 A:T441008 3.1 36.3 0.3 O4 A:T441008 3.2 33.9 0.3 C1' A:T441008 3.7 30.1 0.3 N A:ALA191 3.7 40.0 1.0 CB A:LYS190 3.8 41.1 1.0 O A:ASP187 3.9 45.8 1.0 C A:LYS190 4.0 40.9 1.0 CA A:ALA191 4.0 37.9 1.0 C6' A:T441008 4.0 29.6 0.3 CB A:ALA191 4.3 35.4 1.0 C5 A:T441008 4.3 35.7 0.3 C1 A:T441008 4.4 38.2 0.3 O A:LYS190 4.4 41.4 1.0 C2' A:T441008 4.5 28.9 0.3 CA A:LYS190 4.5 40.2 1.0 C A:ASP187 4.9 47.2 1.0 CE A:LYS190 4.9 49.6 1.0 C6 A:T441008 4.9 36.7 0.3 CA A:ASP187 5.0 47.5 1.0

Iodine binding site 2 out of 4 in the Human Serum Albumin Mutant R218H 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 Mutant R218H 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:25.3 occ:0.28 I3' A:T441008 0.0 25.3 0.3 C3' A:T441008 2.1 27.7 0.3 C2' A:T441008 3.0 28.9 0.3 C4' A:T441008 3.0 27.7 0.3 O4' A:T441008 3.2 26.5 0.3 CE A:LYS195 3.5 54.8 1.0 O A:ASP451 3.6 45.4 1.0 CD2 A:TYR452 3.6 51.4 1.0 NZ A:LYS195 3.8 56.9 1.0 CG A:TYR452 3.8 49.8 1.0 CA A:TYR452 3.9 43.7 1.0 C A:ASP451 3.9 44.5 1.0 CE2 A:TYR452 3.9 52.8 1.0 N A:TYR452 4.0 43.9 1.0 OD1 A:ASP451 4.1 56.0 1.0 CD1 A:TYR452 4.2 51.7 1.0 CG A:ASP451 4.3 54.4 1.0 CZ A:TYR452 4.3 53.4 1.0 C5' A:T441008 4.3 28.4 0.3 C1' A:T441008 4.3 30.1 0.3 CB A:TYR452 4.4 46.6 1.0 CE1 A:TYR452 4.4 52.2 1.0 CB A:ALA191 4.4 35.4 1.0 CB A:ASP451 4.5 49.4 1.0 CG2 A:VAL455 4.6 45.3 1.0 OD2 A:ASP451 4.8 59.0 1.0 CA A:ASP451 4.8 45.1 1.0 C6' A:T441008 4.9 29.6 0.3 CD A:LYS195 4.9 50.0 1.0 CG1 A:VAL455 5.0 45.2 1.0

Iodine binding site 3 out of 4 in the Human Serum Albumin Mutant R218H 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 Mutant R218H 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:31.9 occ:0.28 I5 A:T441008 0.0 31.9 0.3 C5 A:T441008 2.1 35.7 0.3 C4 A:T441008 3.0 36.3 0.3 C6 A:T441008 3.0 36.7 0.3 O4 A:T441008 3.2 33.9 0.3 O A:ASN429 3.5 51.7 1.0 CB A:LYS432 3.7 56.2 1.0 C1' A:T441008 3.8 30.1 0.3 CD A:LYS432 3.8 61.5 1.0 CB A:ASN429 3.8 51.3 1.0 CG2 A:VAL433 3.9 49.6 1.0 CA A:ASN429 3.9 51.0 1.0 C A:ASN429 4.1 52.5 1.0 C6' A:T441008 4.2 29.6 0.3 CG A:LYS432 4.3 58.8 1.0 CG A:ASN429 4.3 51.4 1.0 C3 A:T441008 4.3 38.1 0.3 CD1 A:TYR452 4.4 51.7 1.0 N A:VAL433 4.4 53.5 1.0 C1 A:T441008 4.4 38.2 0.3 OD1 A:ASN429 4.4 54.4 1.0 CG2 A:VAL456 4.5 42.7 1.0 C2' A:T441008 4.6 28.9 0.3 C2 A:T441008 4.9 39.0 0.3 CE1 A:TYR452 4.9 52.2 1.0 CA A:LYS432 4.9 54.2 1.0 CE A:LYS432 4.9 63.5 1.0 C A:LYS432 5.0 53.6 1.0

Iodine binding site 4 out of 4 in the Human Serum Albumin Mutant R218H 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 Mutant R218H 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:31.2 occ:0.28 I5' A:T441008 0.0 31.2 0.3 C5' A:T441008 2.1 28.4 0.3 C6' A:T441008 3.0 29.6 0.3 C4' A:T441008 3.0 27.7 0.3 O4' A:T441008 3.2 26.5 0.3 N A:GLU188 3.8 46.1 1.0 CB A:ASP187 3.8 48.2 1.0 C A:ASP187 3.8 47.2 1.0 CA A:GLU188 3.9 46.8 1.0 O A:ASP187 4.0 45.8 1.0 NZ A:LYS436 4.0 66.9 1.0 C3' A:T441008 4.3 27.7 0.3 C1' A:T441008 4.3 30.1 0.3 CB A:GLU188 4.3 47.4 1.0 CA A:ASP187 4.5 47.5 1.0 CG A:GLU188 4.6 52.4 1.0 CE A:LYS436 4.6 67.2 1.0 OH A:TYR452 4.8 52.6 1.0 O A:GLU184 4.8 56.3 1.0 CB A:ALA191 4.9 35.4 1.0 CE1 A:TYR452 4.9 52.2 1.0 OE1 A:GLU188 4.9 54.7 1.0 C2' A:T441008 4.9 28.9 0.3

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