Mercury in PDB 5cmf: Gta Mutant with Mercury - E303A

All present enzymatic activity of Gta Mutant with Mercury - E303A:
2.4.1.37; 2.4.1.40;

The structure of Gta Mutant with Mercury - E303A, PDB code: 5cmf 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)	74.54 / 1.95
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	52.410, 149.000, 78.970, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / 25.1

The binding sites of Mercury atom in the Gta Mutant with Mercury - E303A (pdb code 5cmf). 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 - E303A, PDB code: 5cmf:
Jump to Mercury binding site number: 1; 2; 3; 4;

Mercury binding site 1 out of 4 in the Gta Mutant with Mercury - E303A


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 - E303A within 5.0Å range: probe atom residue distance (Å) B Occ X:Hg401 b:48.2 occ:0.70 SG X:CYS209 2.5 44.3 1.0 O X:HOH617 2.8 49.0 1.0 OG1 X:THR119 2.9 32.1 1.0 CB X:CYS209 3.2 36.1 1.0 O X:HOH551 3.7 48.1 1.0 CB X:THR119 3.9 32.7 1.0 CG2 X:THR119 4.1 31.6 1.0 CA X:CYS209 4.2 34.4 1.0 CG1 X:VAL277 4.3 29.9 1.0 CD1 X:LEU207 4.7 35.0 1.0 N X:CYS209 4.8 31.5 1.0 CZ X:PHE270 5.0 38.3 1.0

Mercury binding site 2 out of 4 in the Gta Mutant with Mercury - E303A


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 - E303A within 5.0Å range: probe atom residue distance (Å) B Occ X:Hg402 b:43.0 occ:0.52 SG X:CYS80 2.1 53.9 1.0 O X:GLY98 2.9 36.5 1.0 CB X:CYS80 3.0 53.9 1.0 CA X:CYS80 3.2 53.8 1.0 O X:CYS80 3.8 49.2 1.0 O X:HOH567 3.8 53.4 1.0 C X:CYS80 3.9 51.3 1.0 C X:GLY98 3.9 35.5 1.0 O X:HOH514 4.0 61.8 1.0 CA X:THR99 4.3 33.9 1.0 N X:CYS80 4.5 55.2 1.0 N X:THR99 4.6 35.4 1.0 O X:HOH531 4.7 43.5 1.0 C X:THR99 4.9 34.4 1.0 CA X:GLY98 4.9 33.9 1.0 O X:THR99 5.0 33.8 1.0

Mercury binding site 3 out of 4 in the Gta Mutant with Mercury - E303A


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 - E303A within 5.0Å range: probe atom residue distance (Å) B Occ X:Hg403 b:45.8 occ:0.39 O X:HOH551 2.7 48.1 1.0 N X:VAL210 3.4 33.3 1.0 C X:CYS209 3.5 34.1 1.0 CB X:CYS209 3.5 36.1 1.0 O X:VAL210 3.7 33.5 1.0 O X:CYS209 3.9 35.3 1.0 C X:VAL210 3.9 32.9 1.0 CA X:CYS209 3.9 34.4 1.0 CA X:VAL210 4.0 33.1 1.0 CE1 X:PHE270 4.0 37.2 1.0 O X:HOH535 4.1 43.0 1.0 O X:GLY267 4.4 40.5 1.0 CZ X:PHE270 4.5 38.3 1.0 N X:ASP211 4.7 32.6 1.0 OD1 X:ASP211 4.8 39.9 1.0 O X:THR119 4.8 34.5 1.0 CD1 X:PHE121 4.9 55.9 1.0 CD1 X:PHE270 4.9 35.5 1.0

Mercury binding site 4 out of 4 in the Gta Mutant with Mercury - E303A


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 - E303A within 5.0Å range: probe atom residue distance (Å) B Occ X:Hg404 b:49.5 occ:0.65 SG X:CYS284 2.3 49.6 1.0 CB X:CYS284 3.1 43.3 1.0 CD2 X:LEU280 3.5 37.6 1.0 N X:LEU306 3.9 34.8 1.0 CA X:LEU306 4.0 34.9 1.0 CB X:LEU306 4.2 35.4 1.0 O X:ASP302 4.3 58.0 1.0 CG X:LEU280 4.5 36.2 1.0 O X:HOH610 4.5 32.4 1.0 CD1 X:LEU306 4.5 36.0 1.0 CA X:CYS284 4.5 42.9 1.0 O X:LEU280 4.5 35.2 1.0 C X:HIS305 4.6 36.2 1.0 CB X:HIS305 4.7 42.6 1.0 CG X:LEU306 5.0 36.4 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