Mercury in PDB 3kp9: Structure of A Bacterial Homolog of Vitamin K Epoxide Reductase

All present enzymatic activity of Structure of A Bacterial Homolog of Vitamin K Epoxide Reductase:
1.1.4.2;

The structure of Structure of A Bacterial Homolog of Vitamin K Epoxide Reductase, PDB code: 3kp9 was solved by W.Li, S.Schulman, R.J.Dutton, D.Boyd, J.Beckwith, T.A.Rapoport, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.83 / 3.60
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	136.942, 136.942, 68.480, 90.00, 90.00, 120.00
R / Rfree (%)	25.1 / 30.5

The binding sites of Mercury atom in the Structure of A Bacterial Homolog of Vitamin K Epoxide Reductase (pdb code 3kp9). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 2 binding sites of Mercury where determined in the Structure of A Bacterial Homolog of Vitamin K Epoxide Reductase, PDB code: 3kp9:
Jump to Mercury binding site number: 1; 2;

Mercury binding site 1 out of 2 in the Structure of A Bacterial Homolog of Vitamin K Epoxide Reductase


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Structure of A Bacterial Homolog of Vitamin K Epoxide Reductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg601 b:59.4 occ:0.20 SG A:CYS212 1.8 49.9 1.0 O A:CYS212 2.7 56.0 1.0 OH A:TYR228 2.9 62.7 1.0 CZ A:TYR228 3.4 62.1 1.0 C A:CYS212 3.4 56.0 1.0 CB A:CYS212 3.4 54.0 1.0 CE1 A:TYR228 3.9 61.7 1.0 CA A:CYS212 4.0 54.6 1.0 O A:ALA206 4.0 58.0 1.0 CE2 A:TYR228 4.0 62.5 1.0 N A:GLN213 4.2 57.4 1.0 CA A:TYR207 4.3 56.9 1.0 CE A:MET203 4.3 60.9 1.0 C A:ALA206 4.5 57.7 1.0 OE1 A:GLN213 4.6 63.4 1.0 N A:TYR207 4.6 57.3 1.0 CA A:GLN213 4.7 58.7 1.0 CB A:LYS216 4.7 60.0 1.0 CD1 A:TYR228 4.8 61.7 1.0 CD2 A:TYR228 4.9 62.2 1.0

Mercury binding site 2 out of 2 in the Structure of A Bacterial Homolog of Vitamin K Epoxide Reductase


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Structure of A Bacterial Homolog of Vitamin K Epoxide Reductase within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg602 b:50.8 occ:0.10 ND1 A:HIS195 2.0 63.2 1.0 CE1 A:HIS195 2.6 63.0 1.0 CG A:HIS195 3.3 63.1 1.0 NE2 A:HIS195 3.9 63.0 1.0 CB A:HIS195 3.9 62.9 1.0 CD2 A:HIS195 4.2 62.6 1.0 CA A:HIS195 4.3 62.7 1.0 CG A:GLN198 4.9 63.5 1.0 CD1 A:TYR277 5.0 50.6 1.0 CB A:GLN198 5.0 63.2 1.0

W.Li, S.Schulman, R.J.Dutton, D.Boyd, J.Beckwith, T.A.Rapoport. Structure of A Bacterial Homologue of Vitamin K Epoxide Reductase. Nature V. 463 507 2010.
ISSN: ISSN 0028-0836
PubMed: 20110994
DOI: 10.1038/NATURE08720