Iodine in PDB 3ozk: Crystal Structure of Human Transthyretin Variant A25T in Complex with Thyroxine (T4)

The structure of Crystal Structure of Human Transthyretin Variant A25T in Complex with Thyroxine (T4), PDB code: 3ozk was solved by L.M.T.R.Lima, L.C.Palmieri, D.Foguel, F.L.Palhano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.01 / 1.90
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	43.130, 85.310, 64.340, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 23.6

The binding sites of Iodine atom in the Crystal Structure of Human Transthyretin Variant A25T in Complex with Thyroxine (T4) (pdb code 3ozk). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 8 binding sites of Iodine where determined in the Crystal Structure of Human Transthyretin Variant A25T in Complex with Thyroxine (T4), PDB code: 3ozk:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iodine binding site 1 out of 8 in the Crystal Structure of Human Transthyretin Variant A25T in Complex with Thyroxine (T4)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of Human Transthyretin Variant A25T in Complex with Thyroxine (T4) within 5.0Å range: probe atom residue distance (Å) B Occ A:I128 b:71.2 occ:0.25 I3 A:T44128 0.0 71.2 0.2 C3 A:T44128 2.1 66.3 0.2 C6' A:T44128 2.3 60.5 0.2 C1' A:T44128 2.6 61.2 0.2 C5' A:T44128 2.8 59.9 0.2 C4 A:T44128 3.0 65.5 0.2 CG2 A:THR119 3.0 21.4 0.5 C2 A:T44128 3.1 65.5 0.2 O4 A:T44128 3.2 63.0 0.2 C2' A:T44128 3.3 60.0 0.2 C4' A:T44128 3.5 59.1 0.2 C3' A:T44128 3.7 58.9 0.2 OG1 A:THR119 3.8 14.4 0.5 CG2 A:THR119 3.9 16.1 0.5 CB A:THR119 3.9 17.4 0.5 I5' A:T44128 4.0 61.8 0.2 CB A:THR119 4.3 19.7 0.5 CB A:ALA108 4.3 17.1 1.0 C5 A:T44128 4.3 65.7 0.2 C1 A:T44128 4.4 64.0 0.2 O4' A:T44128 4.5 59.1 0.2 OG1 A:THR119 4.8 18.0 0.5 C6 A:T44128 4.9 65.0 0.2

Iodine binding site 2 out of 8 in the Crystal Structure of Human Transthyretin Variant A25T in Complex with Thyroxine (T4)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of Human Transthyretin Variant A25T in Complex with Thyroxine (T4) within 5.0Å range: probe atom residue distance (Å) B Occ A:I128 b:57.0 occ:0.25 I3' A:T44128 0.0 57.0 0.2 C3' A:T44128 2.1 58.9 0.2 C2' A:T44128 3.0 60.0 0.2 C4' A:T44128 3.1 59.1 0.2 O4' A:T44128 3.3 59.1 0.2 CD2 A:LEU110 4.3 24.3 1.0 C1' A:T44128 4.3 61.2 0.2 O A:HOH177 4.4 33.4 0.5 C5' A:T44128 4.4 59.9 0.2 C6' A:T44128 4.9 60.5 0.2

Iodine binding site 3 out of 8 in the Crystal Structure of Human Transthyretin Variant A25T in Complex with Thyroxine (T4)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of Human Transthyretin Variant A25T in Complex with Thyroxine (T4) within 5.0Å range: probe atom residue distance (Å) B Occ A:I128 b:69.3 occ:0.25 I5 A:T44128 0.0 69.3 0.2 C5 A:T44128 2.1 65.7 0.2 CE A:LYS15 2.9 33.0 1.0 C4 A:T44128 3.0 65.5 0.2 C6 A:T44128 3.0 65.0 0.2 O4 A:T44128 3.1 63.0 0.2 CD1 A:LEU17 3.4 22.4 1.0 NZ A:LYS15 3.8 35.1 1.0 CD A:LYS15 4.1 31.8 1.0 CG A:LEU17 4.2 20.9 1.0 C3 A:T44128 4.3 66.3 0.2 C1 A:T44128 4.4 64.0 0.2 CD2 A:LEU17 4.4 19.5 1.0 C1' A:T44128 4.4 61.2 0.2 CG A:LYS15 4.7 23.2 1.0 N8 A:T44128 4.7 59.4 0.2 C2 A:T44128 4.9 65.5 0.2

Iodine binding site 4 out of 8 in the Crystal Structure of Human Transthyretin Variant A25T in Complex with Thyroxine (T4)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Crystal Structure of Human Transthyretin Variant A25T in Complex with Thyroxine (T4) within 5.0Å range: probe atom residue distance (Å) B Occ A:I128 b:61.8 occ:0.25 I5' A:T44128 0.0 61.8 0.2 C5' A:T44128 2.1 59.9 0.2 OG1 A:THR119 3.0 14.4 0.5 C6' A:T44128 3.0 60.5 0.2 OG A:SER117 3.0 26.4 1.0 C4' A:T44128 3.1 59.1 0.2 O4' A:T44128 3.3 59.1 0.2 O A:ALA108 3.5 20.7 1.0 O A:SER117 3.5 19.0 1.0 CG2 A:THR119 3.6 21.4 0.5 N A:THR119 3.7 19.8 0.5 C A:SER117 3.7 20.2 1.0 CB A:THR119 3.7 17.4 0.5 N A:THR119 3.8 19.0 0.5 CA A:THR118 3.8 20.3 1.0 N A:THR118 3.9 19.6 1.0 N A:LEU110 3.9 18.5 1.0 C A:THR118 3.9 20.5 1.0 CB A:LEU110 3.9 17.4 1.0 I3 A:T44128 4.0 71.2 0.2 CB A:THR119 4.0 19.7 0.5 C A:ALA108 4.0 19.1 1.0 CB A:SER117 4.1 21.7 1.0 CA A:ALA109 4.2 18.5 1.0 C A:ALA109 4.3 19.1 1.0 C1' A:T44128 4.3 61.2 0.2 CA A:THR119 4.4 17.7 0.5 C3' A:T44128 4.4 58.9 0.2 N A:ALA109 4.4 17.5 1.0 CB A:ALA108 4.4 17.1 1.0 CA A:SER117 4.5 20.0 1.0 CA A:THR119 4.5 19.4 0.5 CA A:LEU110 4.6 17.6 1.0 O A:THR118 4.6 20.8 1.0 O A:HOH177 4.8 33.4 0.5 C2' A:T44128 4.9 60.0 0.2 CA A:ALA108 4.9 18.4 1.0 CG2 A:THR119 4.9 16.1 0.5

Iodine binding site 5 out of 8 in the Crystal Structure of Human Transthyretin Variant A25T in Complex with Thyroxine (T4)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Crystal Structure of Human Transthyretin Variant A25T in Complex with Thyroxine (T4) within 5.0Å range: probe atom residue distance (Å) B Occ B:I128 b:74.7 occ:0.25 I3 B:T44128 0.0 74.7 0.2 C3 B:T44128 2.1 64.9 0.2 C2' B:T44128 2.4 59.5 0.2 C1' B:T44128 2.5 60.6 0.2 CD1 B:LEU17 2.7 22.3 1.0 C2 B:T44128 2.8 63.4 0.2 C3' B:T44128 3.0 59.1 0.2 C4 B:T44128 3.1 63.5 0.2 O4 B:T44128 3.1 62.0 0.2 C6' B:T44128 3.3 59.1 0.2 C4' B:T44128 3.7 58.9 0.2 C5' B:T44128 3.8 58.4 0.2 CG B:LEU17 3.9 21.1 1.0 C1 B:T44128 4.0 61.4 0.2 I3' B:T44128 4.4 61.3 0.2 C5 B:T44128 4.4 62.9 0.2 CB B:LEU17 4.5 18.8 1.0 C6 B:T44128 4.7 62.2 0.2 CD1 B:LEU110 4.7 17.3 1.0 O9 B:T44128 4.8 57.6 0.2 O4' B:T44128 4.8 59.1 0.2 CB B:LEU110 5.0 17.1 1.0

Iodine binding site 6 out of 8 in the Crystal Structure of Human Transthyretin Variant A25T in Complex with Thyroxine (T4)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Crystal Structure of Human Transthyretin Variant A25T in Complex with Thyroxine (T4) within 5.0Å range: probe atom residue distance (Å) B Occ B:I128 b:61.3 occ:0.25 I3' B:T44128 0.0 61.3 0.2 C3' B:T44128 2.1 59.1 0.2 C4' B:T44128 3.0 58.9 0.2 O4' B:T44128 3.1 59.1 0.2 C2' B:T44128 3.2 59.5 0.2 C5' B:T44128 4.3 58.4 0.2 I3 B:T44128 4.4 74.7 0.2 CD2 B:LEU110 4.5 22.5 1.0 C1' B:T44128 4.5 60.6 0.2 C6' B:T44128 4.9 59.1 0.2

Iodine binding site 7 out of 8 in the Crystal Structure of Human Transthyretin Variant A25T in Complex with Thyroxine (T4)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Crystal Structure of Human Transthyretin Variant A25T in Complex with Thyroxine (T4) within 5.0Å range: probe atom residue distance (Å) B Occ B:I128 b:65.4 occ:0.25 I5 B:T44128 0.0 65.4 0.2 C5 B:T44128 2.1 62.9 0.2 C6 B:T44128 3.1 62.2 0.2 C4 B:T44128 3.1 63.5 0.2 O4 B:T44128 3.5 62.0 0.2 CG2 B:VAL121 4.0 23.6 1.0 C3 B:T44128 4.4 64.9 0.2 C1 B:T44128 4.4 61.4 0.2 CB B:VAL121 4.9 21.6 1.0 C1' B:T44128 4.9 60.6 0.2 CB B:ALA108 4.9 18.8 1.0 CG2 B:THR106 5.0 24.1 1.0

Iodine binding site 8 out of 8 in the Crystal Structure of Human Transthyretin Variant A25T in Complex with Thyroxine (T4)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Crystal Structure of Human Transthyretin Variant A25T in Complex with Thyroxine (T4) within 5.0Å range: probe atom residue distance (Å) B Occ B:I128 b:57.4 occ:0.25 I5' B:T44128 0.0 57.4 0.2 C5' B:T44128 2.1 58.4 0.2 OG B:SER117 2.7 24.0 1.0 OG1 B:THR119 2.8 13.3 0.5 C6' B:T44128 2.9 59.1 0.2 C4' B:T44128 3.1 58.9 0.2 O B:SER117 3.3 17.4 1.0 C B:SER117 3.4 18.9 1.0 O4' B:T44128 3.4 59.1 0.2 N B:THR119 3.5 18.3 0.5 N B:THR118 3.6 17.7 1.0 CA B:THR118 3.6 19.0 1.0 C B:THR118 3.6 18.7 1.0 N B:THR119 3.6 17.5 0.5 CB B:THR119 3.6 16.6 0.5 CB B:SER117 3.8 19.3 1.0 CG2 B:THR119 3.9 19.2 0.5 O B:ALA108 3.9 21.0 1.0 CB B:THR119 4.0 18.5 0.5 CA B:SER117 4.2 18.5 1.0 N B:LEU110 4.2 18.1 1.0 CB B:LEU110 4.2 17.1 1.0 O B:THR118 4.3 21.1 1.0 CA B:THR119 4.3 16.4 0.5 C1' B:T44128 4.3 60.6 0.2 CA B:THR119 4.4 18.0 0.5 C3' B:T44128 4.4 59.1 0.2 O B:HOH157 4.4 23.3 0.5 C B:ALA108 4.5 18.9 1.0 CA B:ALA109 4.6 17.7 1.0 OG A:SER115 4.6 19.2 1.0 C B:ALA109 4.7 17.8 1.0 N B:ALA109 4.9 17.9 1.0 C2' B:T44128 4.9 59.5 0.2 CA B:LEU110 4.9 16.7 1.0 CG2 B:THR119 5.0 13.2 0.5 CB B:ALA108 5.0 18.8 1.0

L.M.T.R.Lima, L.C.Palmieri, D.Foguel, F.L.Palhano. Crystal Structure of Human Transthyretin Variant A25T in Complex with Thyroxine (T4) To Be Published.