Mercury in PDB 8xt8: Clostridioides Difficile Marr (WP_003434724) with Hg-Bound

The structure of Clostridioides Difficile Marr (WP_003434724) with Hg-Bound, PDB code: 8xt8 was solved by S.Park, N.Kwon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	87.41 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	97.602, 69.807, 94.659, 90, 116.41, 90
R / Rfree (%)	19.8 / 23.8

The binding sites of Mercury atom in the Clostridioides Difficile Marr (WP_003434724) with Hg-Bound (pdb code 8xt8). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 8 binding sites of Mercury where determined in the Clostridioides Difficile Marr (WP_003434724) with Hg-Bound, PDB code: 8xt8:
Jump to Mercury binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Mercury binding site 1 out of 8 in the Clostridioides Difficile Marr (WP_003434724) with Hg-Bound


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Clostridioides Difficile Marr (WP_003434724) with Hg-Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg500 b:249.0 occ:1.00 SG A:CYS59 2.4 102.4 1.0 CB A:CYS59 3.0 119.4 1.0 N A:LYS66 3.7 111.6 1.0 CA A:CYS59 3.8 94.3 1.0 C A:ASP65 3.8 108.9 1.0 CA A:LYS66 4.0 105.9 1.0 O A:CYS63 4.0 102.6 1.0 O A:ASP65 4.0 110.2 1.0 CD A:LYS66 4.0 123.2 1.0 C A:CYS59 4.2 100.9 1.0 O A:CYS59 4.3 81.5 1.0 CB A:LYS66 4.3 109.7 1.0 CA A:ASP65 4.4 105.9 1.0 O A:LYS64 4.5 102.0 1.0 CE A:LYS66 4.8 123.6 1.0 CG A:LYS66 4.8 115.1 1.0 C A:LYS64 4.9 106.1 1.0 N A:GLU60 4.9 103.1 1.0 N A:ASP65 5.0 110.2 1.0

Mercury binding site 2 out of 8 in the Clostridioides Difficile Marr (WP_003434724) with Hg-Bound


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Clostridioides Difficile Marr (WP_003434724) with Hg-Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg501 b:210.4 occ:1.00 CG1 B:VAL15 3.9 36.8 1.0 OD1 A:ASP39 4.3 64.6 1.0 CB B:VAL15 4.7 39.2 1.0 CB A:ALA42 4.7 38.6 1.0 O A:SER62 4.8 80.1 1.0

Mercury binding site 3 out of 8 in the Clostridioides Difficile Marr (WP_003434724) with Hg-Bound


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Clostridioides Difficile Marr (WP_003434724) with Hg-Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Hg500 b:381.9 occ:1.00 SG B:CYS59 2.4 107.5 1.0 OG1 B:THR70 3.1 74.9 1.0 O B:LYS66 3.5 96.0 1.0 N B:THR70 3.7 79.0 1.0 CB B:THR69 3.7 58.7 1.0 CG2 B:THR69 4.0 68.3 1.0 OE1 B:GLN55 4.0 76.2 1.0 CA B:LYS66 4.0 109.8 1.0 CB B:THR70 4.1 77.7 1.0 C B:LYS66 4.1 98.2 1.0 CA B:THR70 4.1 77.5 1.0 CB B:CYS59 4.2 81.1 1.0 C B:THR69 4.3 70.3 1.0 O B:GLN55 4.5 72.5 1.0 CA B:THR69 4.5 64.5 1.0 CE B:LYS66 4.5 111.5 1.0 CD B:LYS66 4.6 114.8 1.0 O B:ASP65 4.6 145.9 1.0 CB B:LYS66 4.6 115.1 1.0 OG1 B:THR69 4.7 56.3 1.0 CD1 B:LEU73 4.9 76.3 1.0 CB B:GLN55 4.9 71.9 1.0 CD B:GLN55 4.9 83.9 1.0

Mercury binding site 4 out of 8 in the Clostridioides Difficile Marr (WP_003434724) with Hg-Bound


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Clostridioides Difficile Marr (WP_003434724) with Hg-Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Hg501 b:208.1 occ:1.00 O B:SER62 4.0 89.2 1.0 SG B:CYS63 4.3 101.5 1.0 OD1 B:ASP39 4.6 64.4 1.0 CG1 A:VAL15 4.6 40.4 1.0 CD1 A:LEU19 4.7 75.2 1.0 CB B:ALA42 4.9 41.2 1.0 CD B:LYS64 4.9 81.5 1.0 CG B:LYS64 4.9 85.0 1.0

Mercury binding site 5 out of 8 in the Clostridioides Difficile Marr (WP_003434724) with Hg-Bound


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 5 of Clostridioides Difficile Marr (WP_003434724) with Hg-Bound within 5.0Å range: probe atom residue distance (Å) B Occ C:Hg500 b:169.4 occ:1.00 OE1 C:GLU60 2.5 123.8 1.0 SG C:CYS59 2.8 95.9 1.0 CB C:CYS59 3.2 62.5 1.0 CD C:GLU60 3.7 115.0 1.0 C C:CYS59 4.0 59.3 1.0 O C:ILE56 4.1 44.4 1.0 CA C:CYS59 4.2 64.8 1.0 CD1 C:ILE56 4.3 69.8 1.0 N C:GLU60 4.3 65.8 1.0 CB C:ASP65 4.3 96.2 1.0 O C:HOH626 4.3 49.3 1.0 CG1 C:ILE56 4.3 61.6 1.0 O C:CYS59 4.3 56.2 1.0 CG C:GLU60 4.5 98.1 1.0 CA C:ASP65 4.6 97.1 1.0 CG C:ASP65 4.6 107.9 1.0 OE2 C:GLU60 4.6 112.3 1.0 CA C:GLU60 4.9 74.3 1.0 OD2 C:ASP65 4.9 114.9 1.0

Mercury binding site 6 out of 8 in the Clostridioides Difficile Marr (WP_003434724) with Hg-Bound


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 6 of Clostridioides Difficile Marr (WP_003434724) with Hg-Bound within 5.0Å range: probe atom residue distance (Å) B Occ C:Hg501 b:241.1 occ:1.00 SG C:CYS63 3.7 96.5 1.0 CG1 D:VAL15 3.7 34.2 1.0 CB C:ALA42 4.0 38.7 1.0 OD1 C:ASP39 4.4 46.7 1.0 CB D:VAL15 4.5 40.2 1.0 NZ C:LYS22 4.7 76.8 1.0

Mercury binding site 7 out of 8 in the Clostridioides Difficile Marr (WP_003434724) with Hg-Bound


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 7 of Clostridioides Difficile Marr (WP_003434724) with Hg-Bound within 5.0Å range: probe atom residue distance (Å) B Occ D:Hg500 b:178.5 occ:1.00 SG D:CYS63 3.0 108.7 1.0 CG1 C:VAL15 3.8 36.0 1.0 CB D:CYS63 4.3 104.5 1.0 CB C:VAL15 4.3 41.5 1.0 CB D:ALA42 4.4 42.1 1.0 OD1 D:ASP39 4.7 60.1 1.0 OG C:SER16 4.9 55.2 1.0

Mercury binding site 8 out of 8 in the Clostridioides Difficile Marr (WP_003434724) with Hg-Bound


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 8 of Clostridioides Difficile Marr (WP_003434724) with Hg-Bound within 5.0Å range: probe atom residue distance (Å) B Occ D:Hg501 b:322.2 occ:1.00 SG D:CYS59 2.2 95.7 1.0 CB D:CYS59 2.3 114.3 1.0 N D:LYS66 3.2 115.9 1.0 CB D:LYS66 3.3 106.6 1.0 CA D:LYS66 3.3 106.2 1.0 CA D:CYS59 3.4 86.1 1.0 C D:ASP65 3.5 121.0 1.0 O D:ASP65 3.9 129.7 1.0 C D:CYS59 4.2 79.9 1.0 CA D:ASP65 4.2 118.5 1.0 O D:LYS64 4.4 100.5 1.0 N D:CYS59 4.6 87.9 1.0 O D:CYS59 4.6 75.1 1.0 CG D:LYS66 4.7 116.4 1.0 C D:LYS66 4.8 93.3 1.0 N D:GLU60 4.9 80.6 1.0

N.Kwon, S.Rho, S.C.Ha, S.Park. Crystal Structure of A Clostridioides Difficile Multiple Antibiotic Resistance Regulator (Marr) CD0473 Suggests A Potential Redox-Regulated Function. Int.J.Biol.Macromol. V. 280 36036 2024.
ISSN: ISSN 0141-8130
PubMed: 39332572
DOI: 10.1016/J.IJBIOMAC.2024.136036