Mercury in PDB 1wt3: Mutant Human Abo(H) Blood Group Glycosyltransferase with Bound Udp and Acceptor

All present enzymatic activity of Mutant Human Abo(H) Blood Group Glycosyltransferase with Bound Udp and Acceptor:
2.4.1.40;

The structure of Mutant Human Abo(H) Blood Group Glycosyltransferase with Bound Udp and Acceptor, PDB code: 1wt3 was solved by H.J.Lee, C.H.Barry, S.N.Borisova, N.O.L.Seto, R.B.Zheng, A.Blancher, S.V.Evans, M.M.Palcic, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	52.600, 149.100, 79.100, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 23.2

The binding sites of Mercury atom in the Mutant Human Abo(H) Blood Group Glycosyltransferase with Bound Udp and Acceptor (pdb code 1wt3). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 4 binding sites of Mercury where determined in the Mutant Human Abo(H) Blood Group Glycosyltransferase with Bound Udp and Acceptor, PDB code: 1wt3:
Jump to Mercury binding site number: 1; 2; 3; 4;

Mercury binding site 1 out of 4 in the Mutant Human Abo(H) Blood Group Glycosyltransferase with Bound Udp and Acceptor


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Mutant Human Abo(H) Blood Group Glycosyltransferase with Bound Udp and Acceptor within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg401 b:56.7 occ:0.50 SD A:MET288 2.7 45.6 1.0 OD1 A:ASP302 3.2 40.9 1.0 O A:CYS284 3.6 30.7 1.0 C A:CYS284 3.7 31.6 1.0 CG A:MET288 3.7 40.8 1.0 N A:HIS285 3.8 32.8 1.0 CB A:CYS284 3.8 31.3 1.0 CA A:HIS285 3.9 35.2 1.0 CE A:MET288 4.4 45.0 1.0 CA A:CYS284 4.4 30.6 1.0 CG A:ASP302 4.4 39.4 1.0 CB A:MET288 4.5 37.2 1.0 CB A:HIS285 4.7 38.5 1.0 O A:THR281 4.8 28.4 1.0 HG A:HG402 4.9 40.9 0.5

Mercury binding site 2 out of 4 in the Mutant Human Abo(H) Blood Group Glycosyltransferase with Bound Udp and Acceptor


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Mutant Human Abo(H) Blood Group Glycosyltransferase with Bound Udp and Acceptor within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg402 b:40.9 occ:0.50 SG A:CYS284 2.5 37.2 1.0 CB A:CYS284 3.1 31.3 1.0 CD2 A:LEU280 3.4 25.5 1.0 O A:ASP302 3.7 27.1 1.0 N A:LEU306 3.8 24.6 1.0 CA A:LEU306 3.8 25.3 1.0 CB A:LEU306 3.9 24.7 1.0 C A:HIS305 4.3 25.7 1.0 CD2 A:LEU306 4.4 23.4 1.0 CB A:HIS305 4.4 28.3 1.0 CA A:CYS284 4.6 30.6 1.0 O A:LEU280 4.6 22.2 1.0 CG A:LEU280 4.6 22.0 1.0 C A:ASP302 4.6 28.5 1.0 CG A:LEU306 4.7 27.6 1.0 O A:HIS305 4.8 26.2 1.0 HG A:HG401 4.9 56.7 0.5 HG A:HG404 4.9 47.0 0.5 CA A:ASP302 5.0 31.0 1.0 CA A:HIS305 5.0 26.4 1.0

Mercury binding site 3 out of 4 in the Mutant Human Abo(H) Blood Group Glycosyltransferase with Bound Udp and Acceptor


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Mutant Human Abo(H) Blood Group Glycosyltransferase with Bound Udp and Acceptor within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg403 b:39.8 occ:1.00 SG A:CYS209 2.5 23.9 1.0 OG1 A:THR119 2.9 24.5 1.0 CB A:CYS209 3.2 20.1 1.0 CB A:THR119 3.9 24.9 1.0 CG2 A:THR119 3.9 25.2 1.0 O A:HOH527 4.0 34.9 1.0 CA A:CYS209 4.2 21.0 1.0 CG1 A:VAL277 4.2 21.8 1.0 N A:CYS209 4.7 21.0 1.0 CD1 A:LEU207 4.7 26.2 1.0 CZ A:PHE270 4.9 22.9 1.0 CE1 A:PHE270 5.0 21.0 1.0

Mercury binding site 4 out of 4 in the Mutant Human Abo(H) Blood Group Glycosyltransferase with Bound Udp and Acceptor


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Mutant Human Abo(H) Blood Group Glycosyltransferase with Bound Udp and Acceptor within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg404 b:47.0 occ:0.50 SG A:CYS284 2.6 37.2 1.0 O A:HOH681 3.2 40.1 1.0 O A:HIS305 3.2 26.2 1.0 CA A:CYS284 3.3 30.6 1.0 N A:CYS284 3.5 29.9 1.0 CB A:CYS284 3.5 31.3 1.0 CB A:TYR309 3.6 20.4 1.0 CB A:HIS305 3.8 28.3 1.0 C A:HIS305 3.9 25.7 1.0 C A:ALA283 3.9 29.9 1.0 O A:ALA283 4.1 30.9 1.0 CD1 A:TYR309 4.1 22.9 1.0 CA A:HIS305 4.2 26.4 1.0 CG A:TYR309 4.3 20.0 1.0 CB A:ALA283 4.3 28.2 1.0 N A:TYR309 4.3 18.5 1.0 CA A:TYR309 4.4 19.4 1.0 O A:HOH650 4.5 37.9 1.0 O A:LEU280 4.6 22.2 1.0 CB A:ALA287 4.6 34.3 1.0 C A:CYS284 4.7 31.6 1.0 CG A:HIS305 4.7 28.1 1.0 N A:LEU306 4.8 24.6 1.0 CA A:ALA283 4.8 29.6 1.0 CD2 A:HIS305 4.9 28.6 1.0 HG A:HG402 4.9 40.9 0.5

H.J.Lee, C.H.Barry, S.N.Borisova, N.O.L.Seto, R.B.Zheng, A.Blancher, S.V.Evans, M.M.Palcic. Structural Basis For the Inactivity of Human Blood Group O2 Glycosyltransferase J.Biol.Chem. V. 280 525 2005.
ISSN: ISSN 0021-9258
PubMed: 15475562
DOI: 10.1074/JBC.M410245200