Mercury in PDB 1r7x: Glycosyltransferase B in Complex with 3-Amino-Acceptor Analog Inhibitor

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

The structure of Glycosyltransferase B in Complex with 3-Amino-Acceptor Analog Inhibitor, PDB code: 1r7x 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)	19.86 / 1.97
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	52.400, 150.200, 79.200, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 22.7

The binding sites of Mercury atom in the Glycosyltransferase B in Complex with 3-Amino-Acceptor Analog Inhibitor (pdb code 1r7x). 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-Amino-Acceptor Analog Inhibitor, PDB code: 1r7x:
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-Amino-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-Amino-Acceptor Analog Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg401 b:78.7 occ:0.50 SG A:CYS284 2.7 41.6 1.0 SD A:MET288 2.9 45.5 1.0 OD1 A:ASP302 3.3 49.5 1.0 CB A:CYS284 3.5 35.4 1.0 N A:HIS285 3.6 38.1 1.0 C A:CYS284 3.7 36.3 1.0 CA A:HIS285 3.9 40.3 1.0 O A:CYS284 3.9 35.6 1.0 CG A:MET288 4.0 42.2 1.0 CA A:CYS284 4.2 35.3 1.0 HG A:HG402 4.2 46.6 0.5 CE A:MET288 4.3 46.6 1.0 CB A:HIS285 4.5 43.5 1.0 CG A:ASP302 4.5 46.9 1.0 O A:THR281 4.6 34.9 1.0 CB A:MET288 4.9 37.8 1.0 CB A:ASP302 5.0 42.5 1.0

Mercury binding site 2 out of 4 in the Glycosyltransferase B in Complex with 3-Amino-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-Amino-Acceptor Analog Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg402 b:46.6 occ:0.50 O A:HOH642 2.7 42.4 1.0 SG A:CYS284 2.7 41.6 1.0 CB A:CYS284 3.1 35.4 1.0 CD2 A:LEU280 3.7 29.0 1.0 O A:ASP302 3.7 35.0 1.0 CB A:LEU306 4.1 24.0 1.0 N A:LEU306 4.1 25.2 1.0 CA A:LEU306 4.1 24.7 1.0 HG A:HG401 4.2 78.7 0.5 C A:ASP302 4.6 35.3 1.0 CA A:CYS284 4.6 35.3 1.0 CD1 A:LEU306 4.7 25.0 1.0 C A:HIS305 4.7 27.5 1.0 CB A:ASP302 4.8 42.5 1.0 CB A:HIS305 4.8 29.3 1.0 CA A:ASP302 4.8 37.5 1.0 O A:LEU280 4.9 26.9 1.0 CG A:LEU280 4.9 26.1 1.0

Mercury binding site 3 out of 4 in the Glycosyltransferase B in Complex with 3-Amino-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-Amino-Acceptor Analog Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg403 b:49.4 occ:1.00 SG A:CYS209 2.5 31.3 1.0 OG1 A:THR119 2.9 25.0 1.0 CB A:CYS209 3.2 24.3 1.0 CB A:THR119 3.9 26.7 1.0 CG2 A:THR119 3.9 26.9 1.0 HG A:HG404 4.1 83.5 0.5 CA A:CYS209 4.2 25.2 1.0 CG1 A:VAL277 4.3 23.5 1.0 N A:CYS209 4.7 23.0 1.0 CD1 A:LEU207 4.8 27.2 1.0 CB A:LEU207 4.9 26.8 1.0 CZ A:PHE270 5.0 23.7 1.0

Mercury binding site 4 out of 4 in the Glycosyltransferase B in Complex with 3-Amino-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-Amino-Acceptor Analog Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg404 b:83.5 occ:0.50 OG1 A:THR119 3.0 25.0 1.0 O A:THR119 3.3 27.5 1.0 CD1 A:PHE121 3.4 44.3 1.0 CE1 A:PHE121 3.4 45.0 1.0 CB A:CYS209 3.5 24.3 1.0 C A:THR119 3.7 28.9 1.0 CB A:THR119 3.9 26.7 1.0 CA A:CYS209 3.9 25.2 1.0 O A:VAL210 4.0 25.1 1.0 O A:HOH544 4.0 32.5 1.0 HG A:HG403 4.1 49.4 1.0 N A:VAL210 4.1 24.9 1.0 N A:VAL120 4.2 28.2 1.0 C A:CYS209 4.3 23.5 1.0 CA A:VAL120 4.3 30.0 1.0 CA A:THR119 4.5 26.6 1.0 CG A:PHE121 4.7 43.5 1.0 C A:VAL120 4.7 31.2 1.0 CZ A:PHE121 4.7 47.5 1.0 N A:PHE121 4.7 33.4 1.0 O A:HOH557 4.8 30.2 1.0 SG A:CYS209 4.8 31.3 1.0 C A:VAL210 4.9 25.4 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