Iodine in PDB 1ict: Monoclinic Form of Human Transthyretin Complexed with Thyroxine (T4)

The structure of Monoclinic Form of Human Transthyretin Complexed with Thyroxine (T4), PDB code: 1ict was solved by A.Wojtczak, P.Neumann, V.Cody, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 3.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	76.690, 96.660, 81.740, 90.00, 106.84, 90.00
R / Rfree (%)	22.9 / 28.9

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

Iodine binding site 1 out of 8 in the Monoclinic Form of Human Transthyretin Complexed 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 Monoclinic Form of Human Transthyretin Complexed with Thyroxine (T4) within 5.0Å range: probe atom residue distance (Å) B Occ C:I128 b:52.2 occ:0.29 I3 C:T44128 0.0 52.2 0.3 C3 C:T44128 2.1 52.2 0.3 C2 C:T44128 3.0 52.2 0.3 C6' C:T44128 3.0 52.2 0.3 C1' C:T44128 3.0 52.2 0.3 C4 C:T44128 3.1 52.2 0.3 CD1 C:LEU17 3.2 5.0 1.0 O4 C:T44128 3.4 52.2 0.3 C5' C:T44128 3.5 52.2 0.3 C2' C:T44128 3.5 52.2 0.3 CB A:ALA108 3.8 5.0 1.0 C3' C:T44128 4.0 52.2 0.3 C4' C:T44128 4.0 52.2 0.3 CG2 A:THR119 4.2 6.0 1.0 C1 C:T44128 4.3 52.2 0.3 C5 C:T44128 4.4 52.2 0.3 CG C:LEU17 4.5 5.0 1.0 I5' C:T44128 4.7 52.2 0.3 C6 C:T44128 4.8 52.2 0.3 CE C:LYS15 4.9 12.2 1.0 O4' C:T44128 5.0 52.2 0.3

Iodine binding site 2 out of 8 in the Monoclinic Form of Human Transthyretin Complexed 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 Monoclinic Form of Human Transthyretin Complexed with Thyroxine (T4) within 5.0Å range: probe atom residue distance (Å) B Occ C:I128 b:52.2 occ:0.29 I3' C:T44128 0.0 52.2 0.3 C3' C:T44128 2.1 52.2 0.3 C2' C:T44128 3.0 52.2 0.3 C4' C:T44128 3.0 52.2 0.3 O4' C:T44128 3.2 52.2 0.3 O C:SER117 3.3 5.0 1.0 OG C:SER117 3.4 9.3 1.0 CG2 C:THR119 3.6 24.6 1.0 C C:SER117 3.8 5.0 1.0 N C:LEU110 3.8 5.0 1.0 CB C:LEU110 3.8 22.2 1.0 CB C:SER117 4.0 9.3 1.0 N C:THR118 4.2 11.4 1.0 C C:ALA109 4.2 5.0 1.0 CA C:THR118 4.3 11.4 1.0 C5' C:T44128 4.3 52.2 0.3 C1' C:T44128 4.3 52.2 0.3 CA C:ALA109 4.3 5.0 1.0 CA C:LEU110 4.4 5.0 1.0 N C:THR119 4.4 10.8 1.0 N C:ALA109 4.4 5.0 1.0 C C:THR118 4.5 11.4 1.0 CA C:SER117 4.5 5.0 1.0 C C:ALA108 4.6 13.0 1.0 O C:ALA108 4.6 13.0 1.0 CB C:ALA108 4.7 5.0 1.0 CB C:THR119 4.8 24.6 1.0 CD2 C:LEU110 4.8 22.2 1.0 OG1 C:THR119 4.8 24.6 1.0 C6' C:T44128 4.9 52.2 0.3 CG C:LEU110 4.9 22.2 1.0

Iodine binding site 3 out of 8 in the Monoclinic Form of Human Transthyretin Complexed 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 Monoclinic Form of Human Transthyretin Complexed with Thyroxine (T4) within 5.0Å range: probe atom residue distance (Å) B Occ C:I128 b:52.2 occ:0.29 I5 C:T44128 0.0 52.2 0.3 C5 C:T44128 2.1 52.2 0.3 C6 C:T44128 3.0 52.2 0.3 C4 C:T44128 3.1 52.2 0.3 O4 C:T44128 3.2 52.2 0.3 CG2 C:VAL121 3.5 5.0 1.0 CD1 A:LEU17 3.6 5.0 1.0 CD2 A:LEU17 3.9 5.0 1.0 CE A:LYS15 4.1 57.6 1.0 CB C:VAL121 4.2 5.0 1.0 CG2 C:THR106 4.3 8.3 1.0 C1 C:T44128 4.3 52.2 0.3 C3 C:T44128 4.4 52.2 0.3 CG A:LEU17 4.4 5.0 1.0 C1' C:T44128 4.6 52.2 0.3 NZ A:LYS15 4.6 57.6 1.0 CB C:THR106 4.7 8.3 1.0 CG1 C:VAL121 4.8 5.0 1.0 C2 C:T44128 4.9 52.2 0.3

Iodine binding site 4 out of 8 in the Monoclinic Form of Human Transthyretin Complexed 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 Monoclinic Form of Human Transthyretin Complexed with Thyroxine (T4) within 5.0Å range: probe atom residue distance (Å) B Occ C:I128 b:52.2 occ:0.29 I5' C:T44128 0.0 52.2 0.3 C5' C:T44128 2.1 52.2 0.3 C4' C:T44128 3.0 52.2 0.3 C6' C:T44128 3.0 52.2 0.3 N A:ALA109 3.1 11.2 1.0 C A:ALA108 3.1 12.2 1.0 O4' C:T44128 3.1 52.2 0.3 CA A:ALA109 3.2 11.2 1.0 N A:LEU110 3.2 5.0 1.0 O A:ALA108 3.2 12.2 1.0 C A:ALA109 3.3 11.2 1.0 CB A:ALA108 3.5 5.0 1.0 O A:SER117 3.6 6.0 1.0 CA A:ALA108 3.9 12.2 1.0 O A:ALA109 4.0 11.2 1.0 CB A:LEU110 4.1 8.7 1.0 CG2 A:THR119 4.1 6.0 1.0 CA A:LEU110 4.1 5.0 1.0 C3' C:T44128 4.3 52.2 0.3 C1' C:T44128 4.3 52.2 0.3 N A:THR119 4.4 22.1 1.0 C A:SER117 4.4 6.0 1.0 CA A:THR118 4.6 5.0 1.0 I3 C:T44128 4.7 52.2 0.3 CB A:ALA109 4.7 5.0 1.0 C2' C:T44128 4.8 52.2 0.3 N A:THR118 4.9 5.0 1.0 C A:THR118 5.0 5.0 1.0

Iodine binding site 5 out of 8 in the Monoclinic Form of Human Transthyretin Complexed 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 Monoclinic Form of Human Transthyretin Complexed with Thyroxine (T4) within 5.0Å range: probe atom residue distance (Å) B Occ D:I129 b:45.9 occ:0.24 I3 D:T44129 0.0 45.9 0.2 C3 D:T44129 2.1 45.9 0.2 C2 D:T44129 3.0 45.9 0.2 C4 D:T44129 3.0 45.9 0.2 O4 D:T44129 3.2 45.9 0.2 CD1 D:LEU17 3.5 5.0 1.0 CG D:LEU17 4.1 5.0 1.0 CD2 D:LEU17 4.1 5.0 1.0 C1' D:T44129 4.2 45.9 0.2 C1 D:T44129 4.3 45.9 0.2 C5 D:T44129 4.3 45.9 0.2 CB B:ALA108 4.6 23.5 1.0 C6 D:T44129 4.8 45.9 0.2 C2' D:T44129 4.8 45.9 0.2 CD D:LYS15 5.0 29.2 1.0

Iodine binding site 6 out of 8 in the Monoclinic Form of Human Transthyretin Complexed 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 Monoclinic Form of Human Transthyretin Complexed with Thyroxine (T4) within 5.0Å range: probe atom residue distance (Å) B Occ D:I129 b:45.9 occ:0.24 I3' D:T44129 0.0 45.9 0.2 C3' D:T44129 2.1 45.9 0.2 C2' D:T44129 3.0 45.9 0.2 C4' D:T44129 3.0 45.9 0.2 O4' D:T44129 3.2 45.9 0.2 CG2 D:THR119 3.3 19.1 1.0 N D:THR119 3.3 5.0 1.0 OG D:SER117 3.4 14.2 1.0 O D:SER117 3.5 5.0 1.0 CB D:THR119 3.6 19.1 1.0 C D:SER117 3.7 5.0 1.0 CA D:THR118 3.7 18.8 1.0 C D:THR118 3.8 18.8 1.0 N D:THR118 3.8 18.8 1.0 O D:ALA108 3.9 8.4 1.0 CA D:THR119 4.1 5.0 1.0 CB D:SER117 4.2 14.2 1.0 C5' D:T44129 4.3 45.9 0.2 N D:LEU110 4.3 5.0 1.0 C1' D:T44129 4.3 45.9 0.2 CB D:LEU110 4.5 17.5 1.0 C D:ALA108 4.5 8.4 1.0 CA D:SER117 4.6 5.0 1.0 CA D:ALA109 4.6 5.0 1.0 CD2 B:LEU110 4.7 5.0 1.0 O D:THR118 4.7 18.8 1.0 C D:ALA109 4.8 5.0 1.0 C6' D:T44129 4.8 45.9 0.2 N D:ALA109 4.9 5.0 1.0 OG1 D:THR119 5.0 19.1 1.0 I5 D:T44129 5.0 45.9 0.2

Iodine binding site 7 out of 8 in the Monoclinic Form of Human Transthyretin Complexed 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 Monoclinic Form of Human Transthyretin Complexed with Thyroxine (T4) within 5.0Å range: probe atom residue distance (Å) B Occ D:I129 b:45.9 occ:0.24 I5 D:T44129 0.0 45.9 0.2 C5 D:T44129 2.1 45.9 0.2 C6 D:T44129 3.0 45.9 0.2 C4 D:T44129 3.1 45.9 0.2 CD1 B:LEU17 3.1 38.8 1.0 C2' D:T44129 3.2 45.9 0.2 CD1 B:LEU110 3.3 5.0 1.0 O4 D:T44129 3.3 45.9 0.2 C1' D:T44129 3.3 45.9 0.2 CG2 D:THR119 3.4 19.1 1.0 CG B:LEU17 3.4 38.8 1.0 CB B:LEU17 3.5 38.8 1.0 OG1 D:THR119 3.9 19.1 1.0 CB D:THR119 4.0 19.1 1.0 C3' D:T44129 4.0 45.9 0.2 CB B:LEU110 4.1 5.0 1.0 C6' D:T44129 4.2 45.9 0.2 CG B:LEU110 4.2 5.0 1.0 C1 D:T44129 4.3 45.9 0.2 C3 D:T44129 4.3 45.9 0.2 CA B:LEU110 4.5 14.1 1.0 CD2 B:LEU110 4.7 5.0 1.0 CA B:LEU17 4.8 10.8 1.0 C4' D:T44129 4.8 45.9 0.2 O B:ALA109 4.9 20.5 1.0 C5' D:T44129 4.9 45.9 0.2 C2 D:T44129 4.9 45.9 0.2 CD2 B:LEU17 4.9 38.8 1.0 N B:LEU110 4.9 14.1 1.0 I3' D:T44129 5.0 45.9 0.2

Iodine binding site 8 out of 8 in the Monoclinic Form of Human Transthyretin Complexed 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 Monoclinic Form of Human Transthyretin Complexed with Thyroxine (T4) within 5.0Å range: probe atom residue distance (Å) B Occ D:I129 b:45.9 occ:0.24 I5' D:T44129 0.0 45.9 0.2 C5' D:T44129 2.1 45.9 0.2 C4' D:T44129 3.0 45.9 0.2 C6' D:T44129 3.0 45.9 0.2 O4' D:T44129 3.2 45.9 0.2 OG B:SER117 3.2 9.2 1.0 O B:SER117 3.2 15.4 1.0 C B:SER117 3.3 15.4 1.0 N B:THR119 3.4 5.2 1.0 C B:THR118 3.5 11.0 1.0 N B:THR118 3.6 11.0 1.0 CB B:SER117 3.6 9.2 1.0 CA B:THR118 3.7 11.0 1.0 CB B:THR119 3.7 7.1 1.0 CD2 D:LEU110 3.7 17.5 1.0 OG A:SER115 3.8 5.2 1.0 O B:THR118 4.0 11.0 1.0 CA B:THR119 4.1 5.2 1.0 CA B:SER117 4.1 15.4 1.0 CG2 B:THR119 4.1 7.1 1.0 C3' D:T44129 4.3 45.9 0.2 C1' D:T44129 4.3 45.9 0.2 O B:ALA108 4.5 9.5 1.0 C2' D:T44129 4.9 45.9 0.2 OG1 B:THR119 4.9 7.1 1.0 N B:LEU110 5.0 14.1 1.0

A.Wojtczak, P.Neumann, V.Cody. Structure of A New Polymorphic Monoclinic Form of Human Transthyretin at 3 A Resolution Reveals A Mixed Complex Between Unliganded and T4-Bound Tetramers of Ttr. Acta Crystallogr.,Sect.D V. 57 957 2001.
ISSN: ISSN 0907-4449
PubMed: 11418763
DOI: 10.1107/S0907444901006047