Mercury in PDB 5cmg: Gta Mutant with Mercury- E303C

All present enzymatic activity of Gta Mutant with Mercury- E303C:
2.4.1.37; 2.4.1.40;

The structure of Gta Mutant with Mercury- E303C, PDB code: 5cmg was solved by S.M.Gagnon, R.J.Blackler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	74.54 / 1.83
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	52.560, 148.870, 80.010, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 20.9

The binding sites of Mercury atom in the Gta Mutant with Mercury- E303C (pdb code 5cmg). 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- E303C, PDB code: 5cmg:
Jump to Mercury binding site number: 1; 2; 3; 4;

Mercury binding site 1 out of 4 in the Gta Mutant with Mercury- E303C


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- E303C within 5.0Å range: probe atom residue distance (Å) B Occ X:Hg401 b:51.4 occ:0.30 O X:HOH550 2.8 41.2 1.0 CB X:CYS209 3.5 29.8 1.0 N X:VAL210 3.5 28.9 1.0 C X:CYS209 3.5 28.7 1.0 O X:VAL210 3.6 29.0 1.0 O X:HOH508 3.7 41.7 1.0 C X:VAL210 3.8 30.0 1.0 CA X:CYS209 4.0 27.7 1.0 O X:CYS209 4.0 25.9 1.0 CA X:VAL210 4.0 27.7 1.0 CE1 X:PHE270 4.0 35.4 1.0 O X:GLY267 4.3 38.9 1.0 OD1 X:ASP211 4.5 41.0 1.0 CZ X:PHE270 4.6 35.4 1.0 N X:ASP211 4.6 29.7 1.0 O X:THR119 4.9 31.0 1.0 CD1 X:PHE270 4.9 32.7 1.0

Mercury binding site 2 out of 4 in the Gta Mutant with Mercury- E303C


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- E303C within 5.0Å range: probe atom residue distance (Å) B Occ X:Hg402 b:37.3 occ:0.65 SG X:CYS209 2.3 38.6 1.0 O X:HOH621 2.4 37.4 1.0 OG1 X:THR119 2.8 31.7 1.0 CB X:CYS209 3.2 29.8 1.0 O X:HOH550 3.6 41.2 1.0 CB X:THR119 3.9 32.9 1.0 CG2 X:THR119 4.0 32.6 1.0 CA X:CYS209 4.1 27.7 1.0 CG1 X:VAL277 4.3 29.1 1.0 N X:CYS209 4.7 26.6 1.0 CZ X:PHE270 4.8 35.4 1.0 CD1 X:LEU207 4.9 34.6 1.0

Mercury binding site 3 out of 4 in the Gta Mutant with Mercury- E303C


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- E303C within 5.0Å range: probe atom residue distance (Å) B Occ X:Hg403 b:48.4 occ:0.63 SG X:CYS284 2.3 30.8 0.5 SG X:CYS284 2.6 45.1 0.5 CB X:CYS284 3.0 33.4 0.5 CB X:CYS284 3.1 41.5 0.5 CD2 X:LEU280 3.6 34.7 1.0 N X:LEU306 3.9 33.1 1.0 CA X:LEU306 4.0 34.5 1.0 CB X:LEU306 4.0 32.5 1.0 O X:HOH603 4.0 37.4 1.0 CD1 X:LEU306 4.4 33.8 1.0 CA X:CYS284 4.5 38.3 0.5 CA X:CYS284 4.5 33.6 0.5 C X:HIS305 4.5 34.1 1.0 CB X:HIS305 4.7 42.1 1.0 O X:LEU280 4.8 32.1 1.0 CG X:LEU280 4.8 31.7 1.0 O X:HOH625 4.8 28.6 1.0 CG X:LEU306 4.9 32.2 1.0 O X:HIS305 5.0 29.2 1.0

Mercury binding site 4 out of 4 in the Gta Mutant with Mercury- E303C


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- E303C within 5.0Å range: probe atom residue distance (Å) B Occ X:Hg404 b:41.2 occ:0.50 CB X:CYS80 1.8 60.1 1.0 SG X:CYS80 2.5 66.9 1.0 O X:GLY98 2.8 36.6 1.0 CA X:CYS80 3.2 60.3 1.0 O X:HOH612 3.6 61.1 1.0 N X:CYS80 3.9 58.1 1.0 C X:GLY98 4.0 37.7 1.0 O X:HOH503 4.0 52.6 1.0 O X:HOH580 4.3 44.5 1.0 C X:CYS80 4.3 44.2 1.0 CA X:THR99 4.4 31.2 1.0 O X:CYS80 4.6 56.8 1.0 N X:THR99 4.7 29.7 1.0 O X:THR99 4.8 29.9 1.0 C X:THR99 4.8 28.8 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