Mercury in PDB 5cqm: Gtb Mutant with Mercury - E303C

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

The structure of Gtb Mutant with Mercury - E303C, PDB code: 5cqm 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 / 1.65
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	52.670, 149.530, 79.260, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 20.6

The binding sites of Mercury atom in the Gtb Mutant with Mercury - E303C (pdb code 5cqm). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 5 binding sites of Mercury where determined in the Gtb Mutant with Mercury - E303C, PDB code: 5cqm:
Jump to Mercury binding site number: 1; 2; 3; 4; 5;

Mercury binding site 1 out of 5 in the Gtb 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 Gtb Mutant with Mercury - E303C within 5.0Å range: probe atom residue distance (Å) B Occ X:Hg401 b:27.5 occ:0.65 SG X:CYS209 2.3 27.6 1.0 O X:HOH680 2.3 27.1 1.0 OG1 X:THR119 2.8 26.6 1.0 CB X:CYS209 3.3 22.8 1.0 HG X:HG405 3.7 39.2 0.2 CB X:THR119 3.9 24.2 1.0 CG2 X:THR119 4.0 25.1 1.0 CA X:CYS209 4.1 19.0 1.0 CG1 X:VAL277 4.4 19.5 1.0 CG X:LEU207 4.4 30.1 1.0 CD2 X:LEU207 4.6 27.5 1.0 N X:CYS209 4.7 19.1 1.0 O X:HOH684 4.8 44.3 1.0 CZ X:PHE270 4.9 23.1 1.0

Mercury binding site 2 out of 5 in the Gtb 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 Gtb Mutant with Mercury - E303C within 5.0Å range: probe atom residue distance (Å) B Occ X:Hg402 b:37.0 occ:0.60 SG X:CYS284 2.4 32.3 1.0 O X:HOH676 3.0 50.0 1.0 CB X:CYS284 3.0 30.1 1.0 CD2 X:LEU280 3.6 24.9 1.0 N X:LEU306 3.8 23.4 1.0 CA X:LEU306 3.9 22.9 1.0 CB X:LEU306 4.0 23.0 1.0 O X:ASP302 4.2 36.2 1.0 C X:HIS305 4.4 24.5 1.0 CD1 X:LEU306 4.4 25.0 1.0 CA X:CYS284 4.5 26.8 1.0 CB X:HIS305 4.6 25.6 1.0 CG X:LEU280 4.7 22.9 1.0 O X:LEU280 4.8 22.8 1.0 CG X:LEU306 4.9 24.0 1.0 O X:HIS305 4.9 22.5 1.0 HG X:HG403 4.9 32.8 0.3

Mercury binding site 3 out of 5 in the Gtb 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 Gtb Mutant with Mercury - E303C within 5.0Å range: probe atom residue distance (Å) B Occ X:Hg403 b:32.8 occ:0.30 O X:HOH694 2.6 38.3 1.0 SG X:CYS284 2.6 32.3 1.0 O X:HIS305 3.1 22.5 1.0 CA X:CYS284 3.2 26.8 1.0 N X:CYS284 3.4 23.8 1.0 CB X:CYS284 3.6 30.1 1.0 CB X:TYR309 3.6 19.0 1.0 O X:HOH627 3.7 31.7 1.0 C X:HIS305 3.8 24.5 1.0 C X:ALA283 3.8 26.0 1.0 CB X:HIS305 4.0 25.6 1.0 O X:ALA283 4.0 27.4 1.0 CD1 X:TYR309 4.2 20.9 1.0 CA X:HIS305 4.2 23.3 1.0 N X:TYR309 4.3 20.9 1.0 CG X:TYR309 4.3 18.8 1.0 CA X:TYR309 4.3 19.0 1.0 CB X:ALA283 4.3 24.6 1.0 C X:CYS284 4.5 28.8 1.0 N X:LEU306 4.7 23.4 1.0 O X:LEU280 4.7 22.8 1.0 CB X:ALA287 4.7 29.1 1.0 CA X:ALA283 4.7 25.6 1.0 ND1 X:HIS305 4.8 32.9 1.0 O X:CYS284 4.8 29.1 1.0 CG X:HIS305 4.8 30.6 1.0 HG X:HG402 4.9 37.0 0.6

Mercury binding site 4 out of 5 in the Gtb 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 Gtb Mutant with Mercury - E303C within 5.0Å range: probe atom residue distance (Å) B Occ X:Hg404 b:28.0 occ:0.60 SG X:CYS80 2.1 40.0 1.0 O X:GLY98 2.8 28.7 1.0 CB X:CYS80 3.1 35.7 1.0 CA X:CYS80 3.4 33.0 1.0 O X:HOH523 3.6 35.0 1.0 O X:HOH542 3.8 39.6 1.0 O X:HOH665 4.0 30.1 1.0 C X:GLY98 4.0 25.5 1.0 N X:CYS80 4.3 31.3 1.0 CA X:THR99 4.3 19.7 1.0 O X:THR99 4.5 25.2 1.0 C X:CYS80 4.5 30.4 1.0 C X:THR99 4.7 22.1 1.0 N X:THR99 4.7 19.4 1.0 O X:CYS80 4.7 36.2 1.0

Mercury binding site 5 out of 5 in the Gtb Mutant with Mercury - E303C


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 5 of Gtb Mutant with Mercury - E303C within 5.0Å range: probe atom residue distance (Å) B Occ X:Hg405 b:39.2 occ:0.25 O X:HOH684 2.4 44.3 1.0 OG1 X:THR119 2.9 26.6 1.0 CE1 X:PHE121 3.3 41.3 1.0 CD1 X:PHE121 3.4 39.2 1.0 O X:THR119 3.5 22.5 1.0 HG X:HG401 3.7 27.5 0.7 CB X:CYS209 3.8 22.8 1.0 C X:THR119 3.8 24.7 1.0 CB X:THR119 3.8 24.2 1.0 O X:HOH555 3.9 27.9 1.0 CA X:CYS209 4.0 19.0 1.0 O X:HOH680 4.2 27.1 1.0 N X:VAL120 4.3 22.6 1.0 O X:VAL210 4.3 22.0 1.0 N X:VAL210 4.3 18.5 1.0 CA X:VAL120 4.4 21.8 1.0 C X:CYS209 4.4 18.9 1.0 CA X:THR119 4.5 21.7 1.0 O X:HOH656 4.5 36.7 1.0 SG X:CYS209 4.5 27.6 1.0 CZ X:PHE121 4.6 42.1 1.0 N X:PHE121 4.7 23.2 1.0 CG X:PHE121 4.7 35.7 1.0 C X:VAL120 4.8 24.1 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