Mercury in PDB 2pgv: Gtb C209A

All present enzymatic activity of Gtb C209A:
2.4.1.37;

The structure of Gtb C209A, PDB code: 2pgv was solved by J.A.Letts, B.Schuman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.76 / 1.79
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	52.500, 149.260, 78.430, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / 21.3

The binding sites of Mercury atom in the Gtb C209A (pdb code 2pgv). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 3 binding sites of Mercury where determined in the Gtb C209A, PDB code: 2pgv:
Jump to Mercury binding site number: 1; 2; 3;

Mercury binding site 1 out of 3 in the Gtb C209A


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Gtb C209A within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg401 b:27.6 occ:0.60 SG A:CYS80 2.5 36.3 1.0 O A:GLY98 2.7 22.9 1.0 O A:HOH520 3.3 34.5 1.0 CB A:CYS80 3.4 32.4 1.0 CA A:CYS80 3.4 32.2 1.0 O A:HOH538 3.5 41.0 1.0 C A:GLY98 3.8 22.3 1.0 O A:CYS80 3.9 31.5 1.0 O A:HOH533 3.9 42.9 1.0 C A:CYS80 4.1 31.2 1.0 O A:HOH458 4.3 33.1 1.0 CA A:THR99 4.3 20.7 1.0 O A:HOH433 4.5 27.3 1.0 N A:THR99 4.5 19.9 1.0 N A:CYS80 4.6 32.1 1.0 CA A:GLY98 4.7 21.7 1.0 C A:THR99 4.9 20.2 1.0 O A:THR99 4.9 21.0 1.0

Mercury binding site 2 out of 3 in the Gtb C209A


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Gtb C209A within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg402 b:30.1 occ:0.50 SG A:CYS284 2.4 16.2 0.4 O A:HOH528 2.7 32.6 1.0 CA A:CYS284 3.2 23.8 0.4 CA A:CYS284 3.2 27.3 0.6 O A:HIS305 3.2 21.5 1.0 CB A:CYS284 3.3 23.4 0.4 N A:CYS284 3.4 27.0 0.6 N A:CYS284 3.4 24.4 0.4 CB A:CYS284 3.5 27.4 0.6 O A:HOH466 3.5 36.6 1.0 CB A:TYR309 3.5 20.5 1.0 C A:HIS305 3.8 22.2 1.0 C A:ALA283 3.9 25.6 1.0 CB A:HIS305 4.0 24.4 1.0 CD1 A:TYR309 4.0 21.0 1.0 O A:ALA283 4.1 25.9 1.0 CG A:TYR309 4.2 21.7 1.0 CA A:HIS305 4.3 23.1 1.0 CA A:TYR309 4.3 20.4 1.0 CB A:ALA283 4.3 24.5 1.0 N A:TYR309 4.4 20.2 1.0 SG A:CYS284 4.5 31.6 0.6 O A:LEU280 4.5 20.6 1.0 C A:CYS284 4.5 27.5 0.6 C A:CYS284 4.6 25.5 0.4 HG A:HG403 4.6 41.5 0.3 N A:LEU306 4.7 21.4 1.0 CB A:ALA287 4.7 30.5 1.0 CA A:ALA283 4.8 25.6 1.0 ND1 A:HIS305 4.8 28.3 1.0 O A:CYS284 4.9 27.8 0.6 CG A:HIS305 4.9 26.9 1.0 O A:CYS284 5.0 25.6 0.4

Mercury binding site 3 out of 3 in the Gtb C209A


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Gtb C209A within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg403 b:41.5 occ:0.30 SG A:CYS284 2.4 16.2 0.4 SG A:CYS284 2.7 31.6 0.6 CE A:MET189 2.7 48.5 1.0 CB A:CYS284 2.9 23.4 0.4 CB A:CYS284 2.9 27.4 0.6 SD A:MET189 3.2 47.6 1.0 O A:ASP302 3.6 28.1 1.0 N A:LEU306 3.6 21.4 1.0 CD2 A:LEU280 3.6 23.3 1.0 CA A:LEU306 3.8 20.9 1.0 CB A:LEU306 3.9 20.7 1.0 CG A:MET189 4.0 49.6 1.0 C A:HIS305 4.2 22.2 1.0 CB A:HIS305 4.3 24.4 1.0 CB A:ASP302 4.4 32.1 1.0 CA A:CYS284 4.4 27.3 0.6 CA A:CYS284 4.4 23.8 0.4 C A:ASP302 4.5 28.6 1.0 CD1 A:LEU306 4.5 20.0 1.0 HG A:HG402 4.6 30.1 0.5 O A:HIS305 4.7 21.5 1.0 O A:LEU280 4.7 20.6 1.0 CG A:LEU280 4.8 20.5 1.0 CA A:HIS305 4.8 23.1 1.0 CA A:ASP302 4.9 30.5 1.0 CG A:LEU306 4.9 20.8 1.0

J.A.Letts, M.Persson, B.Schuman, S.N.Borisova, M.M.Palcic, S.V.Evans. The Effect of Heavy Atoms on the Conformation of the Active-Site Polypeptide Loop in Human Abo(H) Blood-Group Glycosyltransferase B. Acta Crystallogr.,Sect.D V. 63 860 2007.
ISSN: ISSN 0907-4449
PubMed: 17642512
DOI: 10.1107/S0907444907026479