Iodine in PDB 1zcr: Crystal Structure of Human Transthyretin with Bound Iodide

The structure of Crystal Structure of Human Transthyretin with Bound Iodide, PDB code: 1zcr was solved by A.Hornberg, U.W.Hultdin, A.Olofsson, A.E.Sauer-Eriksson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.80
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	43.380, 86.260, 64.440, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 23.8

The binding sites of Iodine atom in the Crystal Structure of Human Transthyretin with Bound Iodide (pdb code 1zcr). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 6 binding sites of Iodine where determined in the Crystal Structure of Human Transthyretin with Bound Iodide, PDB code: 1zcr:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6;

Iodine binding site 1 out of 6 in the Crystal Structure of Human Transthyretin with Bound Iodide


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 with Bound Iodide within 5.0Å range: probe atom residue distance (Å) B Occ A:I201 b:29.6 occ:0.75 OG A:SER117 3.2 8.9 1.0 OG1 A:THR119 3.3 8.1 1.0 CB A:THR119 3.8 6.9 1.0 N A:THR119 3.9 6.5 1.0 O A:SER117 3.9 6.0 1.0 C A:SER117 4.0 6.0 1.0 CB A:LEU110 4.1 6.0 1.0 N A:LEU110 4.1 5.3 1.0 O A:ALA108 4.1 5.8 1.0 CA A:THR118 4.1 6.3 1.0 C A:THR118 4.2 6.3 1.0 N A:THR118 4.2 6.0 1.0 C A:ALA108 4.3 5.4 1.0 CB A:SER117 4.3 6.1 1.0 CB A:ALA108 4.3 5.5 1.0 C A:ALA109 4.4 5.6 1.0 CA A:ALA109 4.4 5.5 1.0 N A:ALA109 4.4 5.5 1.0 CA A:THR119 4.5 6.8 1.0 O A:HOH217 4.7 24.8 0.5 CA A:LEU110 4.7 5.8 1.0 CA A:SER117 4.8 6.2 1.0 O A:THR118 4.9 6.7 1.0 CA A:ALA108 5.0 5.6 1.0

Iodine binding site 2 out of 6 in the Crystal Structure of Human Transthyretin with Bound Iodide


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 with Bound Iodide within 5.0Å range: probe atom residue distance (Å) B Occ A:I202 b:35.8 occ:0.21 CE A:LYS15 3.5 16.5 1.0 NZ A:LYS15 3.8 18.4 1.0 CD2 A:LEU17 4.3 9.3 1.0 CD1 A:LEU17 4.4 8.4 1.0 CG A:LEU17 4.9 7.2 1.0 CD A:LYS15 4.9 14.4 1.0

Iodine binding site 3 out of 6 in the Crystal Structure of Human Transthyretin with Bound Iodide


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 with Bound Iodide within 5.0Å range: probe atom residue distance (Å) B Occ A:I206 b:31.2 occ:0.47 NZ B:LYS35 3.2 24.7 1.0 NE2 A:HIS90 3.4 16.8 1.0 CG1 B:VAL94 4.1 9.4 1.0 CE1 A:HIS90 4.1 16.5 1.0 CD B:LYS35 4.1 22.9 1.0 CE B:LYS35 4.2 24.1 1.0 CG2 B:ILE68 4.2 11.5 1.0 CZ2 B:TRP41 4.3 22.4 1.0 CD2 A:HIS90 4.3 14.9 1.0 CG A:GLU89 4.4 8.7 1.0 CB A:GLU89 4.4 8.1 1.0 CD1 B:ILE68 4.5 13.5 1.0 CH2 B:TRP41 4.5 22.1 1.0 OE1 A:GLU89 4.9 11.0 1.0

Iodine binding site 4 out of 6 in the Crystal Structure of Human Transthyretin with Bound Iodide


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 with Bound Iodide within 5.0Å range: probe atom residue distance (Å) B Occ B:I203 b:30.8 occ:0.50 CE1 B:HIS90 3.4 19.0 1.0 NE2 B:HIS90 3.5 19.7 1.0 NZ A:LYS35 3.6 21.0 1.0 CG1 A:VAL94 4.1 6.8 1.0 CE A:LYS35 4.1 19.9 1.0 CZ2 A:TRP41 4.1 22.4 1.0 CG2 A:ILE68 4.2 7.0 1.0 CB B:GLU89 4.4 8.4 1.0 CD A:LYS35 4.4 18.4 1.0 CH2 A:TRP41 4.4 22.2 1.0 CG B:GLU89 4.5 8.8 1.0 ND1 B:HIS90 4.5 18.5 1.0 CD1 A:ILE68 4.7 9.1 1.0 OE1 B:GLU89 4.7 11.2 1.0 CD2 B:HIS90 4.8 18.5 1.0

Iodine binding site 5 out of 6 in the Crystal Structure of Human Transthyretin with Bound Iodide


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 with Bound Iodide within 5.0Å range: probe atom residue distance (Å) B Occ B:I204 b:28.6 occ:0.91 OG1 B:THR119 3.3 5.7 1.0 OG B:SER117 3.4 3.6 0.5 OG B:SER117 3.6 7.7 0.5 O B:SER117 3.8 5.9 0.5 O B:SER117 3.8 6.0 0.5 CB B:THR119 3.9 6.8 1.0 N B:THR119 4.0 6.7 1.0 C B:SER117 4.1 6.2 0.5 C B:SER117 4.1 6.0 0.5 N B:LEU110 4.1 5.6 1.0 O B:ALA108 4.1 6.4 1.0 CB B:LEU110 4.1 5.7 1.0 CA B:THR118 4.2 6.7 1.0 C B:ALA108 4.2 6.8 1.0 C B:THR118 4.2 7.0 1.0 N B:THR118 4.3 6.2 1.0 CB B:SER117 4.3 6.7 0.5 CB B:ALA108 4.3 7.3 1.0 C B:ALA109 4.3 6.0 1.0 CA B:ALA109 4.3 6.3 1.0 CB B:SER117 4.4 5.8 0.5 N B:ALA109 4.4 6.6 1.0 CA B:THR119 4.6 6.8 1.0 CA B:LEU110 4.7 5.7 1.0 CA B:SER117 4.8 6.4 0.5 CA B:SER117 4.9 5.8 0.5 O B:HOH214 4.9 14.2 0.5 CA B:ALA108 5.0 7.3 1.0 O B:THR118 5.0 7.7 1.0

Iodine binding site 6 out of 6 in the Crystal Structure of Human Transthyretin with Bound Iodide


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 with Bound Iodide within 5.0Å range: probe atom residue distance (Å) B Occ B:I205 b:34.3 occ:0.38 CE B:LYS15 3.4 17.6 1.0 NZ B:LYS15 3.5 19.6 1.0 CD2 B:LEU17 4.2 10.8 1.0 CD1 B:LEU17 4.5 11.1 1.0 CD B:LYS15 4.9 15.8 1.0 CG B:LEU17 4.9 9.8 1.0

A.Hornberg, U.W.Hultdin, A.Olofsson, A.E.Sauer-Eriksson. The Effect of Iodide and Chloride on Transthyretin Structure and Stability Biochemistry V. 44 9290 2005.
ISSN: ISSN 0006-2960
PubMed: 15981995
DOI: 10.1021/BI050249Z