Iodine in PDB 1f86: Transthyretin THR119MET Protein Stabilisation

The structure of Transthyretin THR119MET Protein Stabilisation, PDB code: 1f86 was solved by M.P.Sebastiao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	5.00 / 1.10
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	42.680, 85.770, 63.690, 90.00, 90.00, 90.00
R / Rfree (%)	14.7 / 17.7

The binding sites of Iodine atom in the Transthyretin THR119MET Protein Stabilisation (pdb code 1f86). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 8 binding sites of Iodine where determined in the Transthyretin THR119MET Protein Stabilisation, PDB code: 1f86:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iodine binding site 1 out of 8 in the Transthyretin THR119MET Protein Stabilisation


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Transthyretin THR119MET Protein Stabilisation within 5.0Å range: probe atom residue distance (Å) B Occ A:I428 b:15.8 occ:0.25 I3 A:T44428 0.0 15.8 0.2 C3 A:T44428 2.1 23.9 0.2 CD1 A:LEU17 2.8 15.6 0.5 C2 A:T44428 3.0 25.6 0.2 C4 A:T44428 3.0 12.4 0.2 O4 A:T44428 3.2 15.5 0.2 C1' A:T44428 3.5 9.2 0.2 C2' A:T44428 3.7 10.0 0.2 CG A:LEU17 4.0 13.2 0.5 CG A:LEU17 4.1 11.6 0.5 CD2 A:LEU17 4.1 15.6 0.5 CD1 A:LEU17 4.2 14.7 0.5 C5 A:T44428 4.3 13.7 0.2 C1 A:T44428 4.3 22.3 0.2 C6' A:T44428 4.4 10.9 0.2 CD2 A:LEU17 4.5 15.7 0.5 CE A:LYS15 4.6 17.0 0.5 C3' A:T44428 4.7 13.7 0.2 C6 A:T44428 4.8 14.7 0.2 O A:HOH514 5.0 55.1 1.0

Iodine binding site 2 out of 8 in the Transthyretin THR119MET Protein Stabilisation


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Transthyretin THR119MET Protein Stabilisation within 5.0Å range: probe atom residue distance (Å) B Occ A:I428 b:10.8 occ:0.25 I3' A:T44428 0.0 10.8 0.2 C3' A:T44428 2.1 13.7 0.2 C2' A:T44428 3.0 10.0 0.2 C4' A:T44428 3.0 9.8 0.2 O4' A:T44428 3.1 17.6 0.2 C1' A:T44428 4.2 9.2 0.2 C5' A:T44428 4.3 14.8 0.2 C6' A:T44428 4.8 10.9 0.2

Iodine binding site 3 out of 8 in the Transthyretin THR119MET Protein Stabilisation


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Transthyretin THR119MET Protein Stabilisation within 5.0Å range: probe atom residue distance (Å) B Occ A:I428 b:20.5 occ:0.25 I5 A:T44428 0.0 20.5 0.2 C5 A:T44428 2.1 13.7 0.2 C6 A:T44428 2.9 14.7 0.2 C4 A:T44428 3.1 12.4 0.2 O4 A:T44428 3.4 15.5 0.2 O A:HOH563 3.8 41.9 1.0 C1' A:T44428 3.9 9.2 0.2 O A:HOH566 4.0 43.7 1.0 CG2 A:THR106 4.2 17.9 1.0 C1 A:T44428 4.2 22.3 0.2 C2' A:T44428 4.3 10.0 0.2 C3 A:T44428 4.3 23.9 0.2 C6' A:T44428 4.6 10.9 0.2 CE A:MET119 4.6 38.7 0.5 CD A:LYS15 4.7 22.9 0.5 CB A:ALA108 4.8 16.5 1.0 C2 A:T44428 4.8 25.6 0.2 CG A:LYS15 4.9 18.5 0.5

Iodine binding site 4 out of 8 in the Transthyretin THR119MET Protein Stabilisation


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Transthyretin THR119MET Protein Stabilisation within 5.0Å range: probe atom residue distance (Å) B Occ A:I428 b:12.6 occ:0.25 I5' A:T44428 0.0 12.6 0.2 C5' A:T44428 2.1 14.8 0.2 C4' A:T44428 3.1 9.8 0.2 CG A:LEU110 3.1 14.5 0.4 C6' A:T44428 3.1 10.9 0.2 O4' A:T44428 3.3 17.6 0.2 CD2 A:LEU110 3.4 19.7 0.4 CD1 A:LEU110 3.7 20.4 0.4 N A:LEU110 3.8 8.9 1.0 CB A:ALA108 3.8 16.5 1.0 O A:SER117 3.9 13.2 1.0 O A:ALA108 3.9 12.1 1.0 C A:ALA108 3.9 10.6 1.0 C A:ALA109 3.9 9.3 1.0 N A:ALA109 3.9 10.2 1.0 CB A:LEU110 4.0 10.6 1.0 CA A:ALA109 4.0 9.7 1.0 CG A:MET119 4.1 17.1 0.5 OG A:SER117 4.1 16.1 0.2 OG A:SER117 4.3 13.8 0.3 C3' A:T44428 4.4 13.7 0.2 CB A:MET119 4.4 13.0 0.5 CA A:LEU110 4.4 8.5 1.0 N A:MET119 4.4 11.4 1.0 C A:SER117 4.4 10.0 1.0 C1' A:T44428 4.5 9.2 0.2 CA A:ALA108 4.5 12.2 1.0 CB A:MET119 4.5 15.2 0.5 CA A:THR118 4.6 10.5 1.0 O A:ALA109 4.6 11.3 1.0 C A:THR118 4.7 12.3 1.0 CB A:SER117 4.8 13.8 1.0 N A:THR118 4.8 9.4 1.0 C2' A:T44428 5.0 10.0 0.2

Iodine binding site 5 out of 8 in the Transthyretin THR119MET Protein Stabilisation


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Transthyretin THR119MET Protein Stabilisation within 5.0Å range: probe atom residue distance (Å) B Occ B:I528 b:18.3 occ:0.25 I3 B:T44528 0.0 18.3 0.2 C3 B:T44528 2.1 26.4 0.2 CD1 B:LEU17 3.0 22.5 0.6 C4 B:T44528 3.0 25.8 0.2 CD2 B:LEU17 3.0 20.2 0.4 C2 B:T44528 3.1 21.5 0.2 O4 B:T44528 3.2 24.2 0.2 C1' B:T44528 3.5 15.7 0.2 C2' B:T44528 3.8 23.1 0.2 CD1 B:LEU17 4.1 15.1 0.4 CG B:LEU17 4.1 17.7 0.4 CG B:LEU17 4.2 14.8 0.6 C5 B:T44528 4.3 19.3 0.2 C6' B:T44528 4.3 27.6 0.2 C1 B:T44528 4.4 22.1 0.2 CD2 B:LEU17 4.4 15.7 0.6 CE B:LYS15 4.5 22.8 1.0 C3' B:T44528 4.8 10.5 0.2 C6 B:T44528 4.8 24.0 0.2

Iodine binding site 6 out of 8 in the Transthyretin THR119MET Protein Stabilisation


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Transthyretin THR119MET Protein Stabilisation within 5.0Å range: probe atom residue distance (Å) B Occ B:I528 b:12.6 occ:0.25 I3' B:T44528 0.0 12.6 0.2 C3' B:T44528 2.1 10.5 0.2 C2' B:T44528 2.9 23.1 0.2 C4' B:T44528 3.1 15.4 0.2 O4' B:T44528 3.2 19.8 0.2 C1' B:T44528 4.2 15.7 0.2 C5' B:T44528 4.4 23.8 0.2 C6' B:T44528 4.8 27.6 0.2

Iodine binding site 7 out of 8 in the Transthyretin THR119MET Protein Stabilisation


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Transthyretin THR119MET Protein Stabilisation within 5.0Å range: probe atom residue distance (Å) B Occ B:I528 b:23.6 occ:0.25 I5 B:T44528 0.0 23.6 0.2 C5 B:T44528 2.1 19.3 0.2 C6 B:T44528 3.0 24.0 0.2 C4 B:T44528 3.1 25.8 0.2 O4 B:T44528 3.2 24.2 0.2 C1' B:T44528 3.8 15.7 0.2 CG2 B:THR106 4.0 21.8 1.0 C2' B:T44528 4.2 23.1 0.2 C1 B:T44528 4.3 22.1 0.2 C3 B:T44528 4.3 26.4 0.2 CD B:LYS15 4.5 27.2 1.0 C6' B:T44528 4.6 27.6 0.2 CB B:ALA108 4.7 16.4 1.0 CG2 B:VAL121 4.8 23.4 1.0 C2 B:T44528 4.8 21.5 0.2 CB B:THR106 5.0 16.0 1.0

Iodine binding site 8 out of 8 in the Transthyretin THR119MET Protein Stabilisation


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Transthyretin THR119MET Protein Stabilisation within 5.0Å range: probe atom residue distance (Å) B Occ B:I528 b:13.9 occ:0.25 I5' B:T44528 0.0 13.9 0.2 C5' B:T44528 2.1 23.8 0.2 C4' B:T44528 3.0 15.4 0.2 C6' B:T44528 3.1 27.6 0.2 O4' B:T44528 3.2 19.8 0.2 O B:ALA108 3.8 10.8 1.0 CB B:ALA108 3.8 16.4 1.0 N B:LEU110 3.8 10.0 1.0 C B:ALA108 3.8 9.7 1.0 O B:SER117 3.9 13.2 1.0 CB B:LEU110 3.9 13.1 1.0 N B:ALA109 4.0 10.1 1.0 C B:ALA109 4.1 10.5 1.0 CA B:ALA109 4.1 10.3 1.0 CB B:MET119 4.3 18.3 0.6 N B:MET119 4.3 10.3 1.0 C3' B:T44528 4.3 10.5 0.2 CB B:MET119 4.4 19.8 0.4 OG B:SER117 4.4 23.0 0.6 C1' B:T44528 4.4 15.7 0.2 C B:SER117 4.4 9.8 1.0 CA B:LEU110 4.4 10.0 1.0 CA B:ALA108 4.5 12.2 1.0 CA B:THR118 4.5 9.7 1.0 CG B:MET119 4.6 22.3 0.4 C B:THR118 4.7 9.9 1.0 O B:ALA109 4.7 12.3 1.0 N B:THR118 4.8 9.2 1.0 CB B:SER117 4.8 14.3 0.5 CB B:SER117 4.8 14.5 0.6 C2' B:T44528 4.9 23.1 0.2

M.P.Sebastiao, V.Lamzin, M.J.Saraiva, A.M.Damas. Transthyretin Stability As A Key Factor in Amyloidogenesis: X-Ray Analysis at Atomic Resolution. J.Mol.Biol. V. 306 733 2001.
ISSN: ISSN 0022-2836
PubMed: 11243784
DOI: 10.1006/JMBI.2000.4415