Mercury in PDB 5tjl: Crystal Structure of Gta + A Trisaccharide (Mercury Derivative)

All present enzymatic activity of Crystal Structure of Gta + A Trisaccharide (Mercury Derivative):
2.4.1.37; 2.4.1.40;

The structure of Crystal Structure of Gta + A Trisaccharide (Mercury Derivative), PDB code: 5tjl was solved by M.S.G.Legg, S.M.L.Gagnon, S.V.Evans, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.92 / 1.89
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	52.580, 150.660, 79.300, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 22.4

The binding sites of Mercury atom in the Crystal Structure of Gta + A Trisaccharide (Mercury Derivative) (pdb code 5tjl). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 4 binding sites of Mercury where determined in the Crystal Structure of Gta + A Trisaccharide (Mercury Derivative), PDB code: 5tjl:
Jump to Mercury binding site number: 1; 2; 3; 4;

Mercury binding site 1 out of 4 in the Crystal Structure of Gta + A Trisaccharide (Mercury Derivative)


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Crystal Structure of Gta + A Trisaccharide (Mercury Derivative) within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg401 b:42.5 occ:0.45 O A:HOH584 2.2 56.7 1.0 SG A:CYS284 2.4 29.3 0.5 SG A:CYS284 2.7 35.3 0.5 CB A:CYS284 3.0 29.9 0.5 CB A:CYS284 3.0 32.6 0.5 CD2 A:LEU280 3.6 29.1 1.0 O A:ASP302 3.7 30.8 1.0 N A:LEU306 3.8 25.8 1.0 CA A:LEU306 3.9 26.2 1.0 CB A:LEU306 4.0 26.3 1.0 C A:HIS305 4.4 27.5 1.0 CA A:CYS284 4.5 32.2 0.5 CA A:CYS284 4.5 30.9 0.5 CD1 A:LEU306 4.5 29.1 1.0 CB A:HIS305 4.5 31.8 1.0 HG A:HG403 4.6 56.2 0.2 C A:ASP302 4.6 33.5 1.0 O A:LEU280 4.7 27.0 1.0 CG A:LEU280 4.7 27.8 1.0 CB A:ASP302 4.8 41.6 1.0 CA A:ASP302 4.9 37.7 1.0 CG A:LEU306 4.9 27.2 1.0 O A:HOH573 4.9 8.4 1.0 O A:HIS305 4.9 26.6 1.0

Mercury binding site 2 out of 4 in the Crystal Structure of Gta + A Trisaccharide (Mercury Derivative)


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Crystal Structure of Gta + A Trisaccharide (Mercury Derivative) within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg402 b:34.2 occ:0.60 SG A:CYS209 2.3 32.7 1.0 O A:HOH581 2.4 37.5 1.0 OG1 A:THR119 2.8 28.5 1.0 CB A:CYS209 3.2 27.3 1.0 CB A:THR119 3.9 27.8 1.0 O A:HOH563 3.9 18.9 1.0 CG2 A:THR119 3.9 27.7 1.0 CA A:CYS209 4.1 25.6 1.0 CG1 A:VAL277 4.3 22.4 1.0 N A:CYS209 4.7 24.1 1.0 CD1 A:LEU207 4.8 28.6 1.0 O A:VAL208 5.0 23.3 1.0 CZ A:PHE270 5.0 27.6 1.0 C A:VAL208 5.0 23.7 1.0

Mercury binding site 3 out of 4 in the Crystal Structure of Gta + A Trisaccharide (Mercury Derivative)


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Crystal Structure of Gta + A Trisaccharide (Mercury Derivative) within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg403 b:56.2 occ:0.25 SD A:MET288 2.3 51.2 1.0 SG A:CYS284 2.5 35.3 0.5 CD2 A:HIS285 2.9 33.7 0.4 OD2 A:ASP302 3.2 50.0 1.0 CB A:CYS284 3.6 32.6 0.5 NE2 A:HIS285 3.6 34.0 0.4 CB A:CYS284 3.6 29.9 0.5 C A:CYS284 3.7 33.7 1.0 CE A:MET288 3.7 53.5 1.0 N A:HIS285 3.7 35.1 1.0 CG A:MET288 3.8 44.2 1.0 O A:CYS284 3.8 35.0 1.0 CA A:HIS285 4.0 35.8 0.4 CG A:HIS285 4.0 34.8 0.4 CG A:ASP302 4.0 45.2 1.0 CA A:HIS285 4.0 38.6 0.6 CA A:CYS284 4.3 32.2 0.5 CA A:CYS284 4.3 30.9 0.5 HG A:HG401 4.6 42.5 0.5 CB A:MET288 4.6 40.1 1.0 CB A:HIS285 4.6 34.9 0.4 OD1 A:ASP302 4.7 49.1 1.0 CB A:HIS285 4.7 40.7 0.6 CB A:ASP302 4.7 41.6 1.0 CE1 A:HIS285 4.8 33.8 0.4 O A:HOH584 4.8 56.7 1.0 O A:THR281 4.9 30.0 1.0 ND1 A:HIS285 5.0 34.0 0.4

Mercury binding site 4 out of 4 in the Crystal Structure of Gta + A Trisaccharide (Mercury Derivative)


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Crystal Structure of Gta + A Trisaccharide (Mercury Derivative) within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg404 b:74.5 occ:0.50 SG A:CYS80 1.0 21.9 1.0 CB A:CYS80 2.4 34.9 1.0 O A:HOH543 3.1 36.2 1.0 O A:GLY98 3.1 30.8 1.0 CA A:CYS80 3.4 37.7 1.0 O A:HOH552 3.9 42.0 1.0 C A:GLY98 4.2 29.6 1.0 N A:CYS80 4.3 41.1 1.0 CA A:THR99 4.5 25.7 1.0 C A:CYS80 4.6 39.1 1.0 O A:THR99 4.7 24.5 1.0 C A:THR99 4.8 24.7 1.0 O A:CYS80 4.8 44.0 1.0 N A:THR99 4.9 26.2 1.0

S.M.L.Gagnon, M.S.G.Legg, N.Sindhuwinata, J.A.Letts, A.R.Johal, B.Schuman, S.N.Borisova, M.M.Palcic, T.Peters, S.V.Evans. High-Resolution Crystal Structures and Std uc(Nmr) Mapping of Human Abo(H) Blood Group Glycosyltransferases in Complex with Trisaccharide Reaction Products Suggest A Molecular Basis For Product Release. Glycobiology V. 27 966 2017.
ISSN: ESSN 1460-2423
PubMed: 28575295
DOI: 10.1093/GLYCOB/CWX053