Iodine in PDB 7wwn: Structure of Hypothetical Protein TTHA1873 From Thermus Thermophilus with Potassium Mercuric Iodide

The structure of Structure of Hypothetical Protein TTHA1873 From Thermus Thermophilus with Potassium Mercuric Iodide, PDB code: 7wwn was solved by I.Yuvaraj, K.Sekar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.04 / 2.05
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	42.57, 42.57, 156.049, 90, 90, 90
R / Rfree (%)	20.4 / 26.3

The structure of Structure of Hypothetical Protein TTHA1873 From Thermus Thermophilus with Potassium Mercuric Iodide also contains other interesting chemical elements:

Mercury	(Hg)	6 atoms
Calcium	(Ca)	2 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 22;

Binding sites:

The binding sites of Iodine atom in the Structure of Hypothetical Protein TTHA1873 From Thermus Thermophilus with Potassium Mercuric Iodide (pdb code 7wwn). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 22 binding sites of Iodine where determined in the Structure of Hypothetical Protein TTHA1873 From Thermus Thermophilus with Potassium Mercuric Iodide, PDB code: 7wwn:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 22 in the Structure of Hypothetical Protein TTHA1873 From Thermus Thermophilus with Potassium Mercuric Iodide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Structure of Hypothetical Protein TTHA1873 From Thermus Thermophilus with Potassium Mercuric Iodide within 5.0Å range: probe atom residue distance (Å) B Occ A:I203 b:21.0 occ:0.50 I1 A:72I203 0.0 21.0 0.5 HG1 A:72I203 2.8 26.0 0.5 CG2 A:THR158 3.2 16.1 1.0 O A:ASP156 3.5 11.3 1.0 CB A:THR158 3.6 16.0 1.0 C A:ASP156 3.8 12.3 1.0 O A:THR68 3.8 8.7 1.0 CB A:ASP156 3.8 14.1 1.0 N A:THR158 3.8 13.6 1.0 C A:ALA157 4.0 12.8 1.0 CB A:ASN70 4.0 14.1 1.0 N A:ALA157 4.1 12.3 1.0 CA A:ALA157 4.3 12.4 1.0 N A:ASN70 4.3 11.8 1.0 CA A:THR158 4.3 14.1 1.0 CA A:ASP156 4.5 12.2 1.0 C A:THR68 4.5 8.7 1.0 O A:ALA157 4.5 10.5 1.0 I2 A:72I203 4.5 22.9 0.5 CG2 A:THR68 4.5 8.9 1.0 I4 A:72I203 4.7 27.1 0.5 CB A:THR68 4.7 8.9 1.0 I3 A:72I203 4.8 31.0 0.5 CB A:PRO165 4.8 18.4 1.0 OG1 A:THR158 4.8 20.0 1.0 CA A:ASN70 4.8 13.0 1.0 C A:LEU69 4.9 10.9 1.0

Iodine binding site 2 out of 22 in the Structure of Hypothetical Protein TTHA1873 From Thermus Thermophilus with Potassium Mercuric Iodide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Structure of Hypothetical Protein TTHA1873 From Thermus Thermophilus with Potassium Mercuric Iodide within 5.0Å range: probe atom residue distance (Å) B Occ A:I203 b:22.9 occ:0.50 I2 A:72I203 0.0 22.9 0.5 HG1 A:72I203 2.8 26.0 0.5 NE2 A:GLN124 3.8 14.5 1.0 ND2 A:ASN70 3.8 16.6 1.0 CG A:ASN70 4.0 15.2 1.0 CB A:ASN70 4.1 14.1 1.0 I3 A:72I203 4.4 31.0 0.5 I4 A:72I203 4.5 27.1 0.5 I1 A:72I203 4.5 21.0 0.5 OD1 A:ASN70 4.5 16.4 1.0

Iodine binding site 3 out of 22 in the Structure of Hypothetical Protein TTHA1873 From Thermus Thermophilus with Potassium Mercuric Iodide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Structure of Hypothetical Protein TTHA1873 From Thermus Thermophilus with Potassium Mercuric Iodide within 5.0Å range: probe atom residue distance (Å) B Occ A:I203 b:31.0 occ:0.50 I3 A:72I203 0.0 31.0 0.5 HG1 A:72I203 2.7 26.0 0.5 OD2 A:ASP156 3.2 18.3 1.0 CG A:ASP156 3.4 16.2 1.0 CB A:ASP156 3.7 14.1 1.0 CG A:PRO165 3.9 20.1 1.0 OD1 A:ASP156 4.0 15.4 1.0 CB A:PRO165 4.0 18.4 1.0 I4 A:72I203 4.4 27.1 0.5 I2 A:72I203 4.4 22.9 0.5 ND2 A:ASN70 4.6 16.6 1.0 I1 A:72I203 4.8 21.0 0.5

Iodine binding site 4 out of 22 in the Structure of Hypothetical Protein TTHA1873 From Thermus Thermophilus with Potassium Mercuric Iodide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Structure of Hypothetical Protein TTHA1873 From Thermus Thermophilus with Potassium Mercuric Iodide within 5.0Å range: probe atom residue distance (Å) B Occ A:I203 b:27.1 occ:0.50 I4 A:72I203 0.0 27.1 0.5 HG1 A:72I203 2.8 26.0 0.5 I3 A:72I203 4.4 31.0 0.5 I2 A:72I203 4.5 22.9 0.5 I1 A:72I203 4.7 21.0 0.5 CD A:PRO165 4.7 19.7 1.0 CG A:PRO165 4.9 20.1 1.0 CB A:PRO165 4.9 18.4 1.0 OG1 A:THR158 4.9 20.0 1.0 CB A:THR158 5.0 16.0 1.0

Iodine binding site 5 out of 22 in the Structure of Hypothetical Protein TTHA1873 From Thermus Thermophilus with Potassium Mercuric Iodide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Structure of Hypothetical Protein TTHA1873 From Thermus Thermophilus with Potassium Mercuric Iodide within 5.0Å range: probe atom residue distance (Å) B Occ A:I204 b:14.8 occ:0.80 I1 A:72I204 0.0 14.8 0.8 HG1 A:72I204 2.8 15.1 0.8 CB A:PRO96 3.9 9.4 1.0 CB A:ASP97 3.9 9.9 1.0 OD2 A:ASP97 4.1 9.8 1.0 C A:PRO96 4.3 9.6 1.0 CG A:ASP97 4.3 9.6 1.0 N A:ASP97 4.3 9.8 1.0 O A:PRO96 4.3 9.9 1.0 CA A:ASP97 4.5 9.7 1.0 I3 A:72I204 4.6 18.7 0.8 CG A:PRO96 4.8 9.2 1.0 CA A:PRO96 4.8 9.3 1.0 CB A:ALA103 4.9 11.0 1.0 I2 A:72I204 4.9 17.1 0.8

Iodine binding site 6 out of 22 in the Structure of Hypothetical Protein TTHA1873 From Thermus Thermophilus with Potassium Mercuric Iodide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Structure of Hypothetical Protein TTHA1873 From Thermus Thermophilus with Potassium Mercuric Iodide within 5.0Å range: probe atom residue distance (Å) B Occ A:I204 b:17.1 occ:0.80 I2 A:72I204 0.0 17.1 0.8 HG1 A:72I204 2.8 15.1 0.8 OD2 A:ASP97 3.8 9.8 1.0 CA A:GLY101 4.1 10.5 1.0 CB A:ASP97 4.1 9.9 1.0 CD A:PRO102 4.3 9.2 1.0 CG A:ASP97 4.4 9.6 1.0 I3 A:72I204 4.6 18.7 0.8 O A:PHE100 4.9 12.9 1.0 I1 A:72I204 4.9 14.8 0.8 N A:GLY101 4.9 11.0 1.0

Iodine binding site 7 out of 22 in the Structure of Hypothetical Protein TTHA1873 From Thermus Thermophilus with Potassium Mercuric Iodide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Structure of Hypothetical Protein TTHA1873 From Thermus Thermophilus with Potassium Mercuric Iodide within 5.0Å range: probe atom residue distance (Å) B Occ A:I204 b:18.7 occ:0.80 I3 A:72I204 0.0 18.7 0.8 HG1 A:72I204 2.7 15.1 0.8 OD2 A:ASP97 3.9 9.8 1.0 CG A:PRO102 4.2 9.2 1.0 CB A:ALA103 4.3 11.0 1.0 CD A:PRO102 4.3 9.2 1.0 N A:ALA103 4.4 9.9 1.0 I1 A:72I204 4.6 14.8 0.8 I2 A:72I204 4.6 17.1 0.8 CA A:ALA103 4.7 10.2 1.0

Iodine binding site 8 out of 22 in the Structure of Hypothetical Protein TTHA1873 From Thermus Thermophilus with Potassium Mercuric Iodide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Structure of Hypothetical Protein TTHA1873 From Thermus Thermophilus with Potassium Mercuric Iodide within 5.0Å range: probe atom residue distance (Å) B Occ A:I205 b:16.7 occ:0.70 I1 A:72I205 0.0 16.7 0.7 HG1 A:72I205 2.8 16.3 0.7 CD2 A:LEU116 3.5 15.8 1.0 CG A:GLN114 4.0 11.5 1.0 NE2 A:GLN114 4.1 13.3 1.0 CA A:LEU116 4.2 13.5 1.0 O A:VAL115 4.3 12.1 1.0 CD A:GLN114 4.4 12.3 1.0 I2 A:72I205 4.5 24.2 0.7 I4 A:72I205 4.6 17.6 0.7 O A:LEU116 4.6 13.5 1.0 CG A:LEU116 4.7 15.0 1.0 I3 A:72I205 4.7 19.4 0.7 CB A:LEU116 4.8 14.1 1.0 N A:LEU116 4.9 12.8 1.0 C A:VAL115 4.9 11.9 1.0 C A:LEU116 4.9 13.3 1.0

Iodine binding site 9 out of 22 in the Structure of Hypothetical Protein TTHA1873 From Thermus Thermophilus with Potassium Mercuric Iodide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Structure of Hypothetical Protein TTHA1873 From Thermus Thermophilus with Potassium Mercuric Iodide within 5.0Å range: probe atom residue distance (Å) B Occ A:I205 b:24.2 occ:0.70 I2 A:72I205 0.0 24.2 0.7 HG1 A:72I205 2.8 16.3 0.7 OE1 A:GLN114 3.9 13.9 1.0 CD A:GLN114 4.0 12.3 1.0 CG A:GLN114 4.3 11.5 1.0 NE2 A:GLN114 4.4 13.3 1.0 I3 A:72I205 4.4 19.4 0.7 I4 A:72I205 4.4 17.6 0.7 I1 A:72I205 4.5 16.7 0.7

Iodine binding site 10 out of 22 in the Structure of Hypothetical Protein TTHA1873 From Thermus Thermophilus with Potassium Mercuric Iodide


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Structure of Hypothetical Protein TTHA1873 From Thermus Thermophilus with Potassium Mercuric Iodide within 5.0Å range: probe atom residue distance (Å) B Occ A:I205 b:19.4 occ:0.70 I3 A:72I205 0.0 19.4 0.7 HG1 A:72I205 2.8 16.3 0.7 CD2 A:LEU116 3.8 15.8 1.0 CD A:ARG126 3.9 10.5 1.0 NH1 A:ARG126 3.9 11.1 1.0 CG A:GLN114 4.2 11.5 1.0 CB A:GLN114 4.3 10.7 1.0 CD2 A:LEU128 4.4 12.5 1.0 I2 A:72I205 4.4 24.2 0.7 I4 A:72I205 4.5 17.6 0.7 I1 A:72I205 4.7 16.7 0.7 NE A:ARG126 4.8 9.9 1.0 CZ A:ARG126 4.8 10.5 1.0 CG A:ARG126 4.8 9.9 1.0 CB A:ARG126 4.9 10.1 1.0

I.Yuvaraj, S.K.Chaudhary, J.Jeyakanthan, K.Sekar. Structure of the Hypothetical Protein TTHA1873 From Thermus Thermophilus. Acta Crystallogr.,Sect.F V. 78 338 2022.
ISSN: ESSN 2053-230X
PubMed: 36048084
DOI: 10.1107/S2053230X22008457