Mercury in PDB 1r7t: Glycosyltransferase A in Complex with 3-Deoxy-Acceptor Analog Inhibitor

All present enzymatic activity of Glycosyltransferase A in Complex with 3-Deoxy-Acceptor Analog Inhibitor:
2.4.1.40;

The structure of Glycosyltransferase A in Complex with 3-Deoxy-Acceptor Analog Inhibitor, PDB code: 1r7t was solved by H.P.Nguyen, N.O.L.Seto, Y.Cai, E.K.Leinala, S.N.Borisova, 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)	19.95 / 2.09
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	52.500, 149.500, 79.800, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 23.4

The binding sites of Mercury atom in the Glycosyltransferase A in Complex with 3-Deoxy-Acceptor Analog Inhibitor (pdb code 1r7t). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 4 binding sites of Mercury where determined in the Glycosyltransferase A in Complex with 3-Deoxy-Acceptor Analog Inhibitor, PDB code: 1r7t:
Jump to Mercury binding site number: 1; 2; 3; 4;

Mercury binding site 1 out of 4 in the Glycosyltransferase A in Complex with 3-Deoxy-Acceptor Analog Inhibitor


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Glycosyltransferase A in Complex with 3-Deoxy-Acceptor Analog Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg401 b:0.4 occ:0.50 SD A:MET288 2.7 51.4 1.0 SG A:CYS284 2.9 52.9 1.0 CD2 A:HIS285 2.9 50.3 1.0 NE2 A:HIS285 3.5 50.3 1.0 CB A:CYS284 3.6 42.7 1.0 OD1 A:ASP302 3.7 50.8 1.0 N A:HIS285 3.9 41.2 1.0 C A:CYS284 3.9 40.9 1.0 CG A:MET288 4.0 47.6 1.0 CE A:MET288 4.0 49.9 1.0 CG A:HIS285 4.0 49.7 1.0 CA A:HIS285 4.1 42.9 1.0 O A:CYS284 4.1 41.0 1.0 HG A:HG402 4.2 54.6 0.5 CG A:ASP302 4.2 49.4 1.0 CA A:CYS284 4.5 41.2 1.0 OD2 A:ASP302 4.5 50.2 1.0 CB A:HIS285 4.7 45.0 1.0 CE1 A:HIS285 4.8 50.8 1.0 O A:THR281 4.8 37.0 1.0 CB A:ASP302 4.9 46.7 1.0 CB A:MET288 5.0 43.9 1.0

Mercury binding site 2 out of 4 in the Glycosyltransferase A in Complex with 3-Deoxy-Acceptor Analog Inhibitor


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Glycosyltransferase A in Complex with 3-Deoxy-Acceptor Analog Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg402 b:54.6 occ:0.50 O A:HOH626 2.6 67.1 1.0 SG A:CYS284 2.8 52.9 1.0 CB A:CYS284 3.2 42.7 1.0 O A:ASP302 3.8 39.9 1.0 CD2 A:LEU280 3.8 29.7 1.0 HG A:HG401 4.2 0.4 0.5 N A:LEU306 4.2 32.9 1.0 CB A:LEU306 4.3 32.3 1.0 CA A:LEU306 4.3 33.0 1.0 CD1 A:LEU306 4.5 33.8 1.0 C A:ASP302 4.6 41.6 1.0 CB A:ASP302 4.6 46.7 1.0 CA A:CYS284 4.7 41.2 1.0 CA A:ASP302 4.8 44.7 1.0 CB A:HIS305 4.8 37.9 1.0 O A:LEU280 4.8 32.4 1.0 C A:HIS305 4.9 35.4 1.0

Mercury binding site 3 out of 4 in the Glycosyltransferase A in Complex with 3-Deoxy-Acceptor Analog Inhibitor


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Glycosyltransferase A in Complex with 3-Deoxy-Acceptor Analog Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg403 b:50.6 occ:1.00 SG A:CYS209 2.6 34.5 1.0 O A:HOH631 2.7 34.9 1.0 OG1 A:THR119 2.9 29.2 1.0 CB A:CYS209 3.3 25.5 1.0 O A:HOH569 3.8 32.9 1.0 CG2 A:THR119 3.9 28.6 1.0 CB A:THR119 3.9 29.0 1.0 CG1 A:VAL277 4.2 27.2 1.0 CA A:CYS209 4.2 27.7 1.0 N A:CYS209 4.7 26.0 1.0 CZ A:PHE270 4.9 29.0 1.0 CD1 A:LEU207 4.9 30.6 1.0

Mercury binding site 4 out of 4 in the Glycosyltransferase A in Complex with 3-Deoxy-Acceptor Analog Inhibitor


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Glycosyltransferase A in Complex with 3-Deoxy-Acceptor Analog Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg404 b:76.4 occ:1.00 SG A:CYS80 2.8 61.4 1.0 O A:GLY98 2.9 34.0 1.0 CB A:CYS80 3.0 53.8 1.0 O A:HOH630 3.1 59.4 1.0 CA A:CYS80 3.2 52.7 1.0 O A:HOH564 3.7 65.7 1.0 C A:GLY98 4.1 35.3 1.0 N A:CYS80 4.2 52.3 1.0 C A:CYS80 4.3 50.5 1.0 CA A:THR99 4.4 33.8 1.0 O A:HOH578 4.4 58.6 1.0 O A:CYS80 4.5 51.0 1.0 N A:THR99 4.7 33.9 1.0 C A:THR99 4.9 33.3 1.0 O A:THR99 4.9 34.2 1.0

H.P.Nguyen, N.O.L.Seto, Y.Cai, E.K.Leinala, S.N.Borisova, M.M.Palcic, S.V.Evans. The Influence of An Intramolecular Hydrogen Bond in Differential Recognition of Inhibitory Acceptor Analogs By Human Abo(H) Blood Group A and B Glycosyltransferases J.Biol.Chem. V. 278 49191 2003.
ISSN: ISSN 0021-9258
PubMed: 12972418
DOI: 10.1074/JBC.M308770200