Mercury in PDB 5g59: Structure of the Pyrococcus Furiosus Esterase PF2001 with Space Group P3121

The structure of Structure of the Pyrococcus Furiosus Esterase PF2001 with Space Group P3121, PDB code: 5g59 was solved by N.Varejao, D.Reverter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	52.67 / 1.61
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	105.334, 105.334, 47.843, 90.00, 90.00, 120.00
R / Rfree (%)	16.7 / 19.4

The binding sites of Mercury atom in the Structure of the Pyrococcus Furiosus Esterase PF2001 with Space Group P3121 (pdb code 5g59). 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 the Pyrococcus Furiosus Esterase PF2001 with Space Group P3121, PDB code: 5g59:
Jump to Mercury binding site number: 1; 2;

Mercury binding site 1 out of 2 in the Structure of the Pyrococcus Furiosus Esterase PF2001 with Space Group P3121


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Structure of the Pyrococcus Furiosus Esterase PF2001 with Space Group P3121 within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg1289 b:11.5 occ:0.34 SG A:CYS166 2.2 23.5 1.0 SG A:CYS167 2.3 13.8 1.0 SD A:MET287 3.0 14.6 1.0 N A:CYS167 3.0 9.4 1.0 CB A:CYS167 3.1 11.9 1.0 O A:TRP286 3.3 19.6 1.0 CB A:CYS166 3.3 14.8 1.0 C A:CYS166 3.3 12.2 1.0 CA A:CYS167 3.6 9.1 1.0 CA A:CYS166 3.7 11.7 1.0 CA A:MET287 3.8 11.8 1.0 O A:ILE143 3.9 12.3 1.0 CG A:MET287 3.9 12.0 1.0 C A:TRP286 3.9 19.5 1.0 O A:CYS166 3.9 14.7 1.0 N A:CYS166 4.1 10.9 1.0 CA A:GLY144 4.1 10.5 1.0 N A:MET287 4.2 12.4 1.0 O A:CYS167 4.3 9.8 1.0 C A:ILE143 4.3 10.6 1.0 C A:CYS167 4.3 11.1 1.0 CE A:MET287 4.3 10.1 1.0 N A:GLY144 4.4 10.7 1.0 CB A:MET287 4.4 13.9 1.0 CB A:TRP286 4.7 15.8 1.0 O A:HOH2087 4.7 31.9 1.0 C A:MET287 4.9 22.6 1.0 CA A:TRP286 5.0 14.0 1.0

Mercury binding site 2 out of 2 in the Structure of the Pyrococcus Furiosus Esterase PF2001 with Space Group P3121


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Structure of the Pyrococcus Furiosus Esterase PF2001 with Space Group P3121 within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg1290 b:16.6 occ:0.15 CD2 A:LEU283 2.9 14.2 1.0 O A:VAL145 3.1 10.1 1.0 O A:CYS167 3.4 9.8 1.0 SG A:CYS167 3.4 13.8 1.0 N A:VAL145 3.5 7.9 1.0 CA A:GLY168 3.6 9.0 1.0 C A:CYS167 3.7 11.1 1.0 C A:VAL145 3.8 9.6 1.0 N A:GLY168 3.8 7.9 1.0 N A:VAL169 3.9 7.0 1.0 CA A:GLY144 3.9 10.5 1.0 C A:GLY168 3.9 8.8 1.0 CG2 A:VAL169 3.9 11.7 1.0 C A:GLY144 4.0 11.7 1.0 CG1 A:ILE146 4.2 7.4 1.0 CA A:VAL145 4.3 8.9 0.7 CA A:VAL145 4.3 9.7 0.3 CE2 A:PHE282 4.3 10.2 1.0 CG A:LEU283 4.3 13.4 1.0 CB A:CYS167 4.5 11.9 1.0 O A:GLY168 4.7 9.4 1.0 CB A:VAL169 4.7 7.0 1.0 CA A:CYS167 4.7 9.1 1.0 CD2 A:PHE282 4.7 9.0 1.0 N A:ILE146 4.7 7.1 1.0 CA A:VAL169 4.9 6.9 1.0 SD A:MET287 4.9 14.6 1.0 CD1 A:LEU283 4.9 13.5 1.0 O A:GLY144 5.0 9.8 1.0 CG1 A:VAL69 5.0 8.9 1.0 CD1 A:ILE146 5.0 10.2 1.0

N.Varejao, R.A.De-Andrade, R.V.Almeida, C.D.Anobom, D.Foguel, D.Reverter. Structural Mechanism For the Temperature-Dependent Activation of the Hyperthermophilic PF2001 Esterase. Structure V. 26 199 2018.
ISSN: ISSN 1878-4186
PubMed: 29307486
DOI: 10.1016/J.STR.2017.12.004