Mercury in PDB 5cqp: Gtb Mutant with Mercury - E303Q

All present enzymatic activity of Gtb Mutant with Mercury - E303Q:
2.4.1.37; 2.4.1.40;

The structure of Gtb Mutant with Mercury - E303Q, PDB code: 5cqp 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)	19.96 / 1.83
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	52.720, 149.220, 79.820, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 21.7

The binding sites of Mercury atom in the Gtb Mutant with Mercury - E303Q (pdb code 5cqp). 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 - E303Q, PDB code: 5cqp:
Jump to Mercury binding site number: 1; 2; 3; 4;

Mercury binding site 1 out of 4 in the Gtb Mutant with Mercury - E303Q


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 - E303Q within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg401 b:37.0 occ:0.60 SG A:CYS284 2.3 38.7 1.0 O A:HOH650 2.5 48.5 1.0 CB A:CYS284 3.0 37.7 1.0 CD2 A:LEU280 3.5 31.2 1.0 N A:LEU306 3.9 27.1 1.0 CA A:LEU306 3.9 27.7 1.0 O A:ASP302 4.0 37.6 1.0 CB A:LEU306 4.0 29.3 1.0 CD1 A:LEU306 4.4 30.9 1.0 CA A:CYS284 4.4 34.6 1.0 C A:HIS305 4.5 28.5 1.0 O A:LEU280 4.5 28.1 1.0 CG A:LEU280 4.5 29.6 1.0 CB A:HIS305 4.8 33.7 1.0 CG A:LEU306 4.8 29.6 1.0 C A:ASP302 4.9 45.6 1.0 O A:HIS305 5.0 27.6 1.0

Mercury binding site 2 out of 4 in the Gtb Mutant with Mercury - E303Q


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 - E303Q within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg402 b:32.2 occ:0.70 SG A:CYS209 2.4 32.0 1.0 OG1 A:THR119 2.8 31.8 1.0 CB A:CYS209 3.2 27.8 1.0 O A:HOH592 3.7 30.7 1.0 CB A:THR119 3.9 28.8 1.0 CG2 A:THR119 4.0 28.4 1.0 CA A:CYS209 4.1 25.7 1.0 CG1 A:VAL277 4.4 28.5 1.0 N A:CYS209 4.8 23.9 1.0 CD1 A:LEU207 4.8 34.9 1.0 CZ A:PHE270 4.9 28.9 1.0 CE2 A:PHE270 5.0 28.1 1.0

Mercury binding site 3 out of 4 in the Gtb Mutant with Mercury - E303Q


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 - E303Q within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg403 b:31.7 occ:0.70 SG A:CYS80 2.3 45.4 1.0 O A:GLY98 2.8 33.8 1.0 O A:HOH637 3.2 39.6 1.0 CB A:CYS80 3.4 42.0 1.0 CA A:CYS80 3.5 35.1 1.0 C A:GLY98 3.7 30.2 1.0 O A:CYS80 4.0 36.7 1.0 C A:CYS80 4.2 35.1 1.0 O A:HOH625 4.4 28.8 1.0 O A:HOH547 4.4 37.5 1.0 CA A:THR99 4.4 24.4 1.0 N A:THR99 4.5 24.4 1.0 CA A:GLY98 4.7 28.7 1.0 N A:CYS80 4.7 34.1 1.0 O A:THR99 4.8 25.0 1.0 C A:THR99 4.8 22.4 1.0

Mercury binding site 4 out of 4 in the Gtb Mutant with Mercury - E303Q


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 - E303Q within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg404 b:47.1 occ:0.25 O A:HOH647 2.7 42.5 1.0 SG A:CYS284 2.8 38.7 1.0 O A:HIS305 3.0 27.6 1.0 CA A:CYS284 3.3 34.6 1.0 O A:HOH638 3.4 42.3 1.0 N A:CYS284 3.5 33.1 1.0 CB A:TYR309 3.7 26.7 1.0 C A:HIS305 3.7 28.5 1.0 CB A:CYS284 3.7 37.7 1.0 C A:ALA283 3.8 36.4 1.0 CB A:HIS305 3.8 33.7 1.0 O A:ALA283 4.0 36.9 1.0 CA A:HIS305 4.1 32.1 1.0 CD1 A:TYR309 4.3 28.6 1.0 N A:TYR309 4.3 26.2 1.0 CA A:TYR309 4.4 26.2 1.0 CG A:TYR309 4.4 25.8 1.0 CB A:ALA283 4.5 32.2 1.0 CB A:ALA287 4.5 35.6 1.0 C A:CYS284 4.6 36.7 1.0 N A:LEU306 4.6 27.1 1.0 CG A:HIS305 4.6 39.5 1.0 CD2 A:HIS305 4.6 40.2 1.0 O A:CYS284 4.8 35.0 1.0 CA A:ALA283 4.8 34.2 1.0 O A:LEU280 4.8 28.1 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