Mercury in PDB 1dhg: Hg-Substituted Desulforedoxin

The structure of Hg-Substituted Desulforedoxin, PDB code: 1dhg was solved by M.Archer, A.L.Carvalho, S.Teixeira, I.Moura, J.J.G.Moura, F.Rusnak, M.J.Romao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.50 / 2.50
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	27.900, 27.900, 130.900, 90.00, 90.00, 120.00
R / Rfree (%)	18.2 / n/a

The binding sites of Mercury atom in the Hg-Substituted Desulforedoxin (pdb code 1dhg). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 2 binding sites of Mercury where determined in the Hg-Substituted Desulforedoxin, PDB code: 1dhg:
Jump to Mercury binding site number: 1; 2;

Mercury binding site 1 out of 2 in the Hg-Substituted Desulforedoxin


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Hg-Substituted Desulforedoxin within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg37 b:38.7 occ:1.00 SG A:CYS9 2.5 32.2 1.0 SG A:CYS12 2.6 37.3 1.0 SG A:CYS28 2.6 36.1 1.0 SG A:CYS29 2.6 35.9 1.0 CB A:CYS29 3.4 34.8 1.0 CB A:CYS9 3.4 36.6 1.0 CB A:CYS12 3.4 37.6 1.0 CB A:CYS28 3.7 34.0 1.0 CA B:GLY24 3.8 38.6 1.0 N A:CYS29 3.8 35.5 1.0 C A:CYS28 3.9 34.8 1.0 N B:GLY24 4.0 40.6 1.0 N A:CYS12 4.0 38.4 1.0 CA A:CYS29 4.1 37.5 1.0 O A:CYS28 4.2 34.8 1.0 CA A:CYS12 4.3 36.2 1.0 CA A:CYS28 4.4 34.0 1.0 CB A:GLN14 4.6 37.0 1.0 C B:GLY24 4.6 37.5 1.0 CA A:CYS9 4.8 37.1 1.0 C A:CYS12 4.8 34.3 1.0 NE2 A:GLN14 4.9 38.2 1.0 C A:LEU11 4.9 38.2 1.0 O A:CYS9 4.9 39.3 1.0 O B:GLY24 5.0 37.1 1.0 N A:GLN14 5.0 38.3 1.0 CB A:LEU11 5.0 39.4 1.0

Mercury binding site 2 out of 2 in the Hg-Substituted Desulforedoxin


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Hg-Substituted Desulforedoxin within 5.0Å range: probe atom residue distance (Å) B Occ B:Hg37 b:48.1 occ:1.00 SG B:CYS28 2.5 35.0 1.0 SG B:CYS12 2.5 48.3 1.0 SG B:CYS9 2.6 46.5 1.0 SG B:CYS29 2.6 43.6 1.0 CB B:CYS29 3.4 37.4 1.0 CB B:CYS12 3.4 47.3 1.0 CB B:CYS9 3.4 46.8 1.0 CB B:CYS28 3.5 33.5 1.0 N B:CYS29 3.7 34.8 1.0 CA A:GLY24 3.7 39.2 1.0 C B:CYS28 3.8 32.9 1.0 N A:GLY24 4.0 42.2 1.0 CA B:CYS29 4.1 37.1 1.0 N B:CYS12 4.1 48.3 1.0 O B:CYS28 4.2 33.0 1.0 CA B:CYS28 4.2 32.3 1.0 CA B:CYS12 4.3 45.3 1.0 C A:GLY24 4.5 37.4 1.0 CB B:GLN14 4.7 38.4 1.0 CA B:CYS9 4.8 47.7 1.0 OE1 B:GLN14 4.9 38.8 1.0 O B:CYS9 4.9 51.4 1.0 C B:CYS12 4.9 44.0 1.0 O A:GLY24 5.0 34.6 1.0 C B:LEU11 5.0 50.3 1.0

M.Archer, A.L.Carvalho, S.Teixeira, I.Moura, J.J.Moura, F.Rusnak, M.J.Romao. Structural Studies By X-Ray Diffraction on Metal Substituted Desulforedoxin, A Rubredoxin-Type Protein. Protein Sci. V. 8 1536 1999.
ISSN: ISSN 0961-8368
PubMed: 10422844