Mercury in PDB 1r7u: Glycosyltransferase B in Complex with 3-Deoxy-Acceptor Analog Inhibitor

All present enzymatic activity of Glycosyltransferase B in Complex with 3-Deoxy-Acceptor Analog Inhibitor:
2.4.1.37;

The structure of Glycosyltransferase B in Complex with 3-Deoxy-Acceptor Analog Inhibitor, PDB code: 1r7u 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)	19.83 / 1.61
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	52.600, 149.900, 79.000, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 20.2

The binding sites of Mercury atom in the Glycosyltransferase B in Complex with 3-Deoxy-Acceptor Analog Inhibitor (pdb code 1r7u). 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 B in Complex with 3-Deoxy-Acceptor Analog Inhibitor, PDB code: 1r7u:
Jump to Mercury binding site number: 1; 2; 3; 4;

Mercury binding site 1 out of 4 in the Glycosyltransferase B 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 B in Complex with 3-Deoxy-Acceptor Analog Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg401 b:28.1 occ:1.00 SG A:CYS80 2.5 27.6 1.0 O A:GLY98 2.8 21.3 1.0 CB A:CYS80 3.2 26.4 1.0 CA A:CYS80 3.5 25.6 1.0 O A:HOH679 3.7 28.1 1.0 O A:HOH609 3.8 30.3 1.0 O A:HOH680 3.8 30.3 1.0 C A:GLY98 4.0 18.6 1.0 O A:HOH612 4.0 19.0 1.0 CA A:THR99 4.2 16.3 1.0 N A:CYS80 4.4 25.9 1.0 O A:THR99 4.5 18.4 1.0 C A:THR99 4.6 16.6 1.0 N A:THR99 4.6 16.0 1.0 C A:CYS80 4.6 25.1 1.0 O A:CYS80 4.8 25.1 1.0

Mercury binding site 2 out of 4 in the Glycosyltransferase B 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 B in Complex with 3-Deoxy-Acceptor Analog Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg402 b:42.9 occ:0.50 SG A:CYS284 2.6 25.1 1.0 CB A:CYS284 3.0 23.1 1.0 O A:HOH676 3.3 55.1 1.0 CD2 A:LEU280 3.4 19.0 1.0 O A:ASP302 4.0 20.6 1.0 CA A:LEU306 4.0 15.4 1.0 N A:LEU306 4.0 15.8 1.0 CB A:LEU306 4.1 16.1 1.0 CD1 A:LEU306 4.5 17.0 1.0 CA A:CYS284 4.5 22.1 1.0 O A:LEU280 4.6 16.6 1.0 O A:HOH677 4.6 48.9 1.0 C A:HIS305 4.6 16.2 1.0 CG A:LEU280 4.6 16.4 1.0 CB A:HIS305 4.7 17.6 1.0 C A:ASP302 4.8 21.4 1.0 CG A:LEU306 4.9 16.4 1.0

Mercury binding site 3 out of 4 in the Glycosyltransferase B 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 B in Complex with 3-Deoxy-Acceptor Analog Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg403 b:43.5 occ:1.00 SG A:CYS209 2.4 22.4 1.0 OG1 A:THR119 2.9 21.0 1.0 CB A:CYS209 3.3 17.7 1.0 O A:HOH501 3.9 24.9 1.0 CB A:THR119 3.9 17.4 1.0 CG2 A:THR119 4.0 19.4 1.0 CA A:CYS209 4.2 15.0 1.0 CG1 A:VAL277 4.3 14.3 1.0 N A:CYS209 4.7 14.8 1.0 CD1 A:LEU207 4.8 21.2 1.0 CB A:LEU207 4.9 18.0 1.0

Mercury binding site 4 out of 4 in the Glycosyltransferase B 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 B in Complex with 3-Deoxy-Acceptor Analog Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg404 b:85.0 occ:0.50 SG A:CYS284 2.9 25.1 1.0 O A:HIS305 3.2 16.3 1.0 CA A:CYS284 3.4 22.1 1.0 N A:CYS284 3.7 20.1 1.0 CB A:CYS284 3.7 23.1 1.0 CB A:TYR309 3.7 15.4 1.0 CB A:HIS305 3.8 17.6 1.0 C A:HIS305 3.9 16.2 1.0 C A:ALA283 4.0 20.9 1.0 O A:ALA283 4.1 20.7 1.0 CD1 A:TYR309 4.2 15.5 1.0 CA A:HIS305 4.2 16.7 1.0 N A:TYR309 4.3 15.1 1.0 CB A:ALA287 4.3 22.3 1.0 CA A:TYR309 4.3 14.6 1.0 CG A:TYR309 4.4 14.2 1.0 CB A:ALA283 4.5 20.0 1.0 CD2 A:HIS305 4.6 21.5 1.0 CG A:HIS305 4.6 19.9 1.0 C A:CYS284 4.7 22.6 1.0 N A:LEU306 4.9 15.8 1.0 CA A:ALA283 4.9 20.2 1.0 O A:CYS284 5.0 24.2 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