Mercury in PDB 5cmh: Gta Mutant with Mercury - E303D

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

The structure of Gta Mutant with Mercury - E303D, PDB code: 5cmh 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)	74.33 / 1.61
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	52.770, 148.830, 79.340, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 21.1

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

Mercury binding site 1 out of 4 in the Gta 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 Gta Mutant with Mercury - E303D within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg401 b:33.2 occ:0.50 O A:HOH691 2.4 36.7 1.0 SG A:CYS284 2.5 20.6 0.5 SG A:CYS284 2.9 38.4 0.5 CB A:CYS284 3.2 23.6 0.5 CB A:CYS284 3.2 32.6 0.5 CD2 A:LEU280 3.4 25.0 1.0 N A:LEU306 3.8 22.0 1.0 CA A:LEU306 3.8 21.1 1.0 O A:HOH626 3.9 30.4 1.0 CB A:LEU306 4.0 20.6 1.0 CD1 A:LEU306 4.4 23.4 1.0 C A:HIS305 4.4 22.7 1.0 CG A:LEU280 4.6 24.4 1.0 CA A:CYS284 4.6 28.9 0.5 CA A:CYS284 4.6 23.4 0.5 CB A:HIS305 4.7 26.8 1.0 O A:LEU280 4.7 22.0 1.0 O A:HIS305 4.8 21.6 1.0 CG A:LEU306 4.9 23.4 1.0 HG A:HG404 4.9 24.7 0.3

Mercury binding site 2 out of 4 in the Gta 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 Gta Mutant with Mercury - E303D within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg402 b:27.9 occ:0.65 SG A:CYS209 2.2 26.6 1.0 O A:HOH674 2.2 27.1 1.0 OG1 A:THR119 2.8 26.4 1.0 CB A:CYS209 3.3 23.3 1.0 O A:HOH579 3.5 23.7 1.0 CB A:THR119 3.9 22.2 1.0 CG2 A:THR119 4.1 24.6 1.0 CA A:CYS209 4.1 20.9 1.0 CG1 A:VAL277 4.4 21.7 1.0 N A:CYS209 4.8 20.1 1.0 CZ A:PHE270 4.9 24.7 1.0 CD1 A:LEU207 4.9 28.6 1.0

Mercury binding site 3 out of 4 in the Gta 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 Gta Mutant with Mercury - E303D within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg403 b:27.9 occ:0.50 SG A:CYS80 2.1 42.5 1.0 O A:GLY98 2.7 27.4 1.0 CB A:CYS80 3.2 40.1 1.0 CA A:CYS80 3.3 34.7 1.0 C A:GLY98 3.8 22.7 1.0 O A:CYS80 3.8 38.9 1.0 C A:CYS80 3.9 35.4 1.0 O A:HOH547 4.1 33.4 1.0 O A:HOH661 4.1 46.1 1.0 CA A:THR99 4.3 18.8 1.0 N A:THR99 4.5 19.8 1.0 O A:HOH651 4.5 30.0 1.0 N A:CYS80 4.6 35.1 1.0 CA A:GLY98 4.8 20.4 1.0 C A:THR99 4.8 21.8 1.0 O A:THR99 4.9 22.8 1.0

Mercury binding site 4 out of 4 in the Gta 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 Gta Mutant with Mercury - E303D within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg404 b:24.7 occ:0.30 O A:HOH677 2.4 35.1 1.0 SG A:CYS284 2.6 20.6 0.5 O A:HIS305 3.1 21.6 1.0 CA A:CYS284 3.3 23.4 0.5 CA A:CYS284 3.3 28.9 0.5 N A:CYS284 3.4 26.5 0.5 N A:CYS284 3.5 23.3 0.5 CB A:CYS284 3.5 23.6 0.5 CB A:TYR309 3.6 17.6 1.0 O A:HOH670 3.6 30.4 1.0 C A:HIS305 3.8 22.7 1.0 CB A:CYS284 3.8 32.6 0.5 C A:ALA283 3.8 25.4 1.0 CB A:HIS305 4.0 26.8 1.0 O A:ALA283 4.0 27.5 1.0 CD1 A:TYR309 4.1 19.4 1.0 CA A:HIS305 4.2 24.0 1.0 CG A:TYR309 4.2 18.2 1.0 N A:TYR309 4.3 19.1 1.0 CA A:TYR309 4.3 18.9 1.0 CB A:ALA283 4.3 24.3 1.0 SG A:CYS284 4.5 38.4 0.5 C A:CYS284 4.6 29.6 0.5 C A:CYS284 4.6 26.2 0.5 O A:LEU280 4.7 22.0 1.0 N A:LEU306 4.7 22.0 1.0 CA A:ALA283 4.7 24.9 1.0 CG A:HIS305 4.8 28.6 1.0 CB A:ALA287 4.8 30.6 1.0 CD2 A:HIS305 4.9 29.5 1.0 O A:CYS284 4.9 31.7 0.5 HG A:HG401 4.9 33.2 0.5 O A:CYS284 5.0 27.2 0.5

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