Mercury in PDB 5cqo: Gtb Mutant with Mercury - E303D

All present enzymatic activity of Gtb Mutant with Mercury - E303D:
2.4.1.37; 2.4.1.40;

The structure of Gtb Mutant with Mercury - E303D, PDB code: 5cqo was solved by S.M.L.Gagnon, R.J.Blackler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	74.74 / 1.69
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	52.870, 149.550, 79.390, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 20.8

The binding sites of Mercury atom in the Gtb Mutant with Mercury - E303D (pdb code 5cqo). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 4 binding sites of Mercury where determined in the Gtb Mutant with Mercury - E303D, PDB code: 5cqo:
Jump to Mercury binding site number: 1; 2; 3; 4;

Mercury binding site 1 out of 4 in the Gtb Mutant with Mercury - E303D


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Gtb Mutant with Mercury - E303D within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg401 b:35.8 occ:0.65 SG A:CYS284 2.4 22.2 0.5 O A:HOH685 2.7 46.3 1.0 SG A:CYS284 3.0 41.3 0.5 CB A:CYS284 3.1 26.7 0.5 CB A:CYS284 3.1 32.6 0.5 CD2 A:LEU280 3.4 27.0 1.0 N A:LEU306 4.0 23.1 1.0 CA A:LEU306 4.0 23.3 1.0 O A:HOH623 4.0 30.5 1.0 CB A:LEU306 4.1 22.8 1.0 CD1 A:LEU306 4.4 24.3 1.0 CG A:LEU280 4.5 24.8 1.0 CA A:CYS284 4.6 27.0 1.0 C A:HIS305 4.6 23.8 1.0 O A:LEU280 4.6 23.2 1.0 CB A:HIS305 4.9 29.2 1.0 O A:HOH667 4.9 38.6 1.0 CG A:LEU306 4.9 24.8 1.0

Mercury binding site 2 out of 4 in the Gtb Mutant with Mercury - E303D


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Gtb Mutant with Mercury - E303D within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg402 b:32.4 occ:0.60 SG A:CYS209 2.2 29.1 1.0 O A:HOH683 2.4 37.0 1.0 OG1 A:THR119 3.0 30.3 1.0 CB A:CYS209 3.2 25.9 1.0 O A:HOH634 3.7 29.9 1.0 CB A:THR119 4.1 25.3 1.0 CA A:CYS209 4.2 20.5 1.0 CG2 A:THR119 4.3 26.3 1.0 CG1 A:VAL277 4.3 22.4 1.0 CG A:LEU207 4.3 33.5 1.0 CD2 A:LEU207 4.5 32.2 1.0 N A:CYS209 4.8 20.7 1.0 CZ A:PHE270 4.8 24.6 1.0 CE2 A:PHE270 4.9 25.6 1.0

Mercury binding site 3 out of 4 in the Gtb Mutant with Mercury - E303D


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Gtb Mutant with Mercury - E303D within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg403 b:29.7 occ:0.50 SG A:CYS80 2.3 43.8 1.0 O A:GLY98 2.7 26.9 1.0 CB A:CYS80 3.2 45.2 1.0 CA A:CYS80 3.3 37.7 1.0 C A:GLY98 3.8 24.4 1.0 O A:HOH609 3.9 46.9 1.0 O A:CYS80 3.9 37.3 1.0 C A:CYS80 4.0 34.3 1.0 O A:HOH519 4.2 43.3 1.0 O A:HOH652 4.3 32.0 1.0 CA A:THR99 4.4 19.2 1.0 N A:THR99 4.5 18.6 1.0 N A:CYS80 4.6 36.9 1.0 CA A:GLY98 4.8 22.4 1.0 C A:THR99 4.9 21.4 1.0 O A:THR99 4.9 24.1 1.0

Mercury binding site 4 out of 4 in the Gtb Mutant with Mercury - E303D


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Gtb Mutant with Mercury - E303D within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg404 b:37.7 occ:0.25 O A:HOH682 2.8 25.5 0.5 SG A:CYS284 2.9 22.2 0.5 O A:HIS305 3.0 22.8 1.0 CA A:CYS284 3.3 27.0 1.0 O A:HOH666 3.4 34.2 1.0 N A:CYS284 3.6 27.3 1.0 C A:HIS305 3.7 23.8 1.0 CB A:TYR309 3.7 20.6 1.0 CB A:CYS284 3.7 26.7 0.5 CB A:HIS305 3.8 29.2 1.0 CB A:CYS284 3.8 32.6 0.5 C A:ALA283 3.9 27.8 1.0 O A:ALA283 3.9 29.4 1.0 CA A:HIS305 4.1 25.2 1.0 N A:TYR309 4.3 21.1 1.0 CA A:TYR309 4.3 19.9 1.0 CD1 A:TYR309 4.3 22.6 1.0 CB A:ALA283 4.4 28.1 1.0 CG A:TYR309 4.4 20.6 1.0 CB A:ALA287 4.5 31.6 1.0 CG A:HIS305 4.6 30.5 1.0 C A:CYS284 4.6 29.8 1.0 CD2 A:HIS305 4.6 31.6 1.0 SG A:CYS284 4.6 41.3 0.5 N A:LEU306 4.6 23.1 1.0 CA A:ALA283 4.8 28.5 1.0 O A:CYS284 4.8 30.0 1.0 O A:LEU280 4.9 23.2 1.0

R.J.Blackler, S.M.Gagnon, R.Polakowski, N.L.Rose, R.B.Zheng, J.A.Letts, A.R.Johal, B.Schuman, S.N.Borisova, M.M.Palcic, S.V.Evans. Glycosyltransfer in Mutants of Putative Catalytic Residue GLU303 of the Human Abo(H) A and B Blood Group Glycosyltransferases Gta and Gtb Proceeds Through A Labile Active Site. Glycobiology V. 27 370 2017.
ISSN: ESSN 1460-2423
PubMed: 27979997
DOI: 10.1093/GLYCOB/CWW117