Mercury in PDB 2a8w: Crystal Structure of Human N-Acetylgalactosaminyltransferase (Gta) Complexed with Beta-Methyllactoside

The structure of Crystal Structure of Human N-Acetylgalactosaminyltransferase (Gta) Complexed with Beta-Methyllactoside, PDB code: 2a8w was solved by J.A.Letts, N.L.Rose, Y.R.Fang, C.H.Barry, S.N.Borisova, N.O.Seto, M.M.Palcic, S.V.Evans, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.59
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	52.620, 150.090, 79.550, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 23.2

The structure of Crystal Structure of Human N-Acetylgalactosaminyltransferase (Gta) Complexed with Beta-Methyllactoside also contains other interesting chemical elements:

Manganese	(Mn)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Mercury atom in the Crystal Structure of Human N-Acetylgalactosaminyltransferase (Gta) Complexed with Beta-Methyllactoside (pdb code 2a8w). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 5 binding sites of Mercury where determined in the Crystal Structure of Human N-Acetylgalactosaminyltransferase (Gta) Complexed with Beta-Methyllactoside, PDB code: 2a8w:
Jump to Mercury binding site number: 1; 2; 3; 4; 5;

Mercury binding site 1 out of 5 in the Crystal Structure of Human N-Acetylgalactosaminyltransferase (Gta) Complexed with Beta-Methyllactoside


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 Human N-Acetylgalactosaminyltransferase (Gta) Complexed with Beta-Methyllactoside within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg401 b:34.0 occ:0.40 SG A:CYS284 2.5 28.7 1.0 O A:HOH717 2.7 39.4 1.0 CB A:CYS284 3.1 26.8 1.0 CD2 A:LEU280 3.4 20.3 1.0 O A:ASP302 3.7 24.2 1.0 CA A:LEU306 3.8 19.3 1.0 N A:LEU306 3.8 19.8 1.0 CB A:LEU306 3.9 19.8 1.0 C A:HIS305 4.4 20.8 1.0 CD1 A:LEU306 4.4 24.2 1.0 CB A:HIS305 4.5 23.4 1.0 CG A:LEU280 4.6 18.9 1.0 CA A:CYS284 4.6 25.6 1.0 O A:LEU280 4.7 20.3 1.0 C A:ASP302 4.7 26.4 1.0 CG A:LEU306 4.8 21.0 1.0 HG A:HG405 4.8 25.5 0.4 O A:HIS305 4.8 19.9 1.0 O A:HOH718 4.9 26.5 1.0 CB A:ASP302 4.9 33.8 1.0 CA A:ASP302 5.0 28.7 1.0

Mercury binding site 2 out of 5 in the Crystal Structure of Human N-Acetylgalactosaminyltransferase (Gta) Complexed with Beta-Methyllactoside


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 Human N-Acetylgalactosaminyltransferase (Gta) Complexed with Beta-Methyllactoside within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg402 b:43.9 occ:0.30 CL A:CL406 2.7 31.3 1.0 OG1 A:THR119 2.8 24.8 1.0 CE1 A:PHE121 3.2 36.3 1.0 CD1 A:PHE121 3.5 35.0 1.0 HG A:HG403 3.5 31.1 0.6 CB A:CYS209 3.6 20.6 1.0 O A:THR119 3.7 21.3 1.0 CB A:THR119 3.7 20.9 1.0 C A:THR119 3.9 19.2 1.0 CA A:CYS209 4.0 18.3 1.0 N A:VAL120 4.4 20.2 1.0 O A:HOH700 4.4 35.8 1.0 N A:VAL210 4.5 17.5 1.0 SG A:CYS209 4.5 29.5 1.0 CZ A:PHE121 4.5 37.4 1.0 CA A:THR119 4.5 20.0 1.0 C A:CYS209 4.5 16.7 1.0 CA A:VAL120 4.6 19.9 1.0 O A:VAL210 4.7 19.4 1.0 O A:HOH543 4.7 28.3 1.0 CG A:PHE121 4.9 33.3 1.0 CG2 A:THR119 4.9 24.1 1.0 C A:VAL120 5.0 21.2 1.0

Mercury binding site 3 out of 5 in the Crystal Structure of Human N-Acetylgalactosaminyltransferase (Gta) Complexed with Beta-Methyllactoside


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 Human N-Acetylgalactosaminyltransferase (Gta) Complexed with Beta-Methyllactoside within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg403 b:31.1 occ:0.60 SG A:CYS209 2.4 29.5 1.0 O A:HOH700 2.5 35.8 1.0 OG1 A:THR119 2.9 24.8 1.0 CB A:CYS209 3.3 20.6 1.0 HG A:HG402 3.5 43.9 0.3 CB A:THR119 3.9 20.9 1.0 CG2 A:THR119 4.0 24.1 1.0 CA A:CYS209 4.2 18.3 1.0 CG1 A:VAL277 4.4 17.3 1.0 N A:CYS209 4.7 16.9 1.0 CD1 A:LEU207 4.9 23.9 1.0 CZ A:PHE270 5.0 21.4 1.0 O A:VAL208 5.0 18.0 1.0

Mercury binding site 4 out of 5 in the Crystal Structure of Human N-Acetylgalactosaminyltransferase (Gta) Complexed with Beta-Methyllactoside


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 Human N-Acetylgalactosaminyltransferase (Gta) Complexed with Beta-Methyllactoside within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg404 b:33.7 occ:0.50 O A:HOH727 2.4 39.4 1.0 SG A:CYS80 2.7 47.2 1.0 O A:GLY98 2.7 24.3 1.0 CB A:CYS80 3.1 42.3 1.0 CA A:CYS80 3.2 39.4 1.0 C A:GLY98 3.9 22.0 1.0 O A:HOH697 3.9 43.6 1.0 O A:CYS80 3.9 37.6 1.0 C A:CYS80 3.9 38.2 1.0 O A:HOH680 4.3 49.9 1.0 CA A:THR99 4.3 19.1 1.0 N A:CYS80 4.4 38.8 1.0 O A:HOH630 4.5 41.3 1.0 N A:THR99 4.5 19.5 1.0 C A:THR99 4.9 19.6 1.0 O A:THR99 4.9 21.3 1.0 CA A:GLY98 4.9 20.7 1.0

Mercury binding site 5 out of 5 in the Crystal Structure of Human N-Acetylgalactosaminyltransferase (Gta) Complexed with Beta-Methyllactoside


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 5 of Crystal Structure of Human N-Acetylgalactosaminyltransferase (Gta) Complexed with Beta-Methyllactoside within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg405 b:25.5 occ:0.40 SG A:CYS284 2.5 28.7 1.0 O A:HOH715 2.6 32.0 1.0 O A:HIS305 3.2 19.9 1.0 CA A:CYS284 3.2 25.6 1.0 N A:CYS284 3.4 24.1 1.0 CB A:CYS284 3.4 26.8 1.0 CB A:TYR309 3.6 18.2 1.0 O A:HOH714 3.6 31.8 1.0 C A:HIS305 3.8 20.8 1.0 C A:ALA283 3.8 24.0 1.0 CB A:HIS305 3.9 23.4 1.0 CD1 A:TYR309 4.0 17.0 1.0 O A:ALA283 4.1 25.9 1.0 CG A:TYR309 4.2 16.7 1.0 CB A:ALA283 4.2 21.9 1.0 CA A:HIS305 4.3 22.1 1.0 N A:TYR309 4.3 18.6 1.0 CA A:TYR309 4.3 18.6 1.0 O A:LEU280 4.5 20.3 1.0 C A:CYS284 4.7 26.5 1.0 N A:LEU306 4.7 19.8 1.0 CA A:ALA283 4.7 23.7 1.0 CB A:ALA287 4.7 29.4 1.0 HG A:HG401 4.8 34.0 0.4 CG A:HIS305 4.8 25.8 1.0 CD2 A:HIS305 4.9 26.7 1.0

J.A.Letts, N.L.Rose, Y.R.Fang, C.H.Barry, S.N.Borisova, N.O.Seto, M.M.Palcic, S.V.Evans. Differential Recognition of the Type I and II H Antigen Acceptors By the Human Abo(H) Blood Group A and B Glycosyltransferases. J.Biol.Chem. V. 281 3625 2006.
ISSN: ISSN 0021-9258
PubMed: 16326711
DOI: 10.1074/JBC.M507620200