Mercury 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:

Calcium	(Ca)	2 atoms
Iodine	(I)	22 atoms

The binding sites of Mercury 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 Mercury atom.
In total 6 binding sites of Mercury where determined in the Structure of Hypothetical Protein TTHA1873 From Thermus Thermophilus with Potassium Mercuric Iodide, PDB code: 7wwn:
Jump to Mercury binding site number: 1; 2; 3; 4; 5; 6;

Mercury binding site 1 out of 6 in the Structure of Hypothetical Protein TTHA1873 From Thermus Thermophilus with Potassium Mercuric Iodide


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg 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:Hg203 b:26.0 occ:0.50 HG1 A:72I203 0.0 26.0 0.5 I3 A:72I203 2.7 31.0 0.5 I2 A:72I203 2.8 22.9 0.5 I1 A:72I203 2.8 21.0 0.5 I4 A:72I203 2.8 27.1 0.5 CB A:ASP156 4.3 14.1 1.0 CB A:PRO165 4.5 18.4 1.0 CB A:ASN70 4.6 14.1 1.0 OD2 A:ASP156 4.6 18.3 1.0 ND2 A:ASN70 4.7 16.6 1.0 CG A:ASP156 4.8 16.2 1.0 CG2 A:THR158 4.9 16.1 1.0 CG A:PRO165 4.9 20.1 1.0

Mercury binding site 2 out of 6 in the Structure of Hypothetical Protein TTHA1873 From Thermus Thermophilus with Potassium Mercuric Iodide


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg 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:Hg204 b:15.1 occ:0.80 HG1 A:72I204 0.0 15.1 0.8 OD2 A:ASP97 2.5 9.8 1.0 I3 A:72I204 2.7 18.7 0.8 I2 A:72I204 2.8 17.1 0.8 I1 A:72I204 2.8 14.8 0.8 CG A:ASP97 3.4 9.6 1.0 CB A:ASP97 3.5 9.9 1.0 CB A:ALA103 4.3 11.0 1.0 CD A:PRO102 4.4 9.2 1.0 OD1 A:ASP97 4.5 9.3 1.0 N A:ALA103 4.7 9.9 1.0 CA A:ASP97 4.9 9.7 1.0 CA A:GLY101 4.9 10.5 1.0

Mercury binding site 3 out of 6 in the Structure of Hypothetical Protein TTHA1873 From Thermus Thermophilus with Potassium Mercuric Iodide


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg 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:Hg205 b:16.3 occ:0.70 HG1 A:72I205 0.0 16.3 0.7 I2 A:72I205 2.8 24.2 0.7 I4 A:72I205 2.8 17.6 0.7 I3 A:72I205 2.8 19.4 0.7 I1 A:72I205 2.8 16.7 0.7 CG A:GLN114 4.1 11.5 1.0 CD2 A:LEU116 4.2 15.8 1.0 CD A:GLN114 4.6 12.3 1.0 NE2 A:GLN114 5.0 13.3 1.0

Mercury binding site 4 out of 6 in the Structure of Hypothetical Protein TTHA1873 From Thermus Thermophilus with Potassium Mercuric Iodide


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg 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:Hg206 b:20.0 occ:0.50 HG1 A:72I206 0.0 20.0 0.5 HG1 A:72I206 1.1 37.0 0.5 I1 A:72I206 2.2 31.1 0.5 I3 A:72I206 2.7 21.8 0.5 I1 A:72I206 2.7 15.5 0.5 I4 A:72I206 2.7 14.3 0.5 I3 A:72I206 2.7 29.9 0.5 I2 A:72I206 2.9 16.2 0.5 I4 A:72I206 3.0 44.5 0.5 I2 A:72I206 3.8 39.8 0.5 CD A:PRO63 4.5 13.4 1.0

Mercury binding site 5 out of 6 in the Structure of Hypothetical Protein TTHA1873 From Thermus Thermophilus with Potassium Mercuric Iodide


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg 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:Hg206 b:37.0 occ:0.50 HG1 A:72I206 0.0 37.0 0.5 HG1 A:72I206 1.1 20.0 0.5 I2 A:72I206 1.9 16.2 0.5 I2 A:72I206 2.7 39.8 0.5 I3 A:72I206 2.7 29.9 0.5 I1 A:72I206 2.8 31.1 0.5 I4 A:72I206 2.8 44.5 0.5 I4 A:72I206 2.9 14.3 0.5 I3 A:72I206 3.2 21.8 0.5 I1 A:72I206 3.5 15.5 0.5 CD A:PRO63 4.1 13.4 1.0 CG A:PRO63 4.6 13.3 1.0

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


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg 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:Hg207 b:48.3 occ:0.50 HG1 A:72I207 0.0 48.3 0.5 I2 A:72I207 2.7 40.3 0.5 I3 A:72I207 2.8 45.3 0.5 I1 A:72I207 2.8 31.0 0.5 OG A:SER110 2.9 15.4 1.0 CB A:SER110 4.2 13.7 1.0 O A:HOH348 4.6 14.1 1.0 O A:SER110 4.7 13.5 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