Mercury in PDB 5cql: Gtb Mutant with Mercury - E303A

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

The structure of Gtb Mutant with Mercury - E303A, PDB code: 5cql 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)	75.11 / 1.69
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	52.490, 150.210, 79.230, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 20.7

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

Mercury binding site 1 out of 5 in the Gtb 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 Gtb Mutant with Mercury - E303A within 5.0Å range: probe atom residue distance (Å) B Occ X:Hg401 b:78.2 occ:0.40 O X:HOH615 2.6 54.6 1.0 O X:GLY98 2.9 31.4 1.0 CB X:CYS80 3.0 61.8 1.0 O X:HOH530 3.4 38.9 1.0 N X:CYS80 3.5 56.5 1.0 CA X:CYS80 3.8 57.6 1.0 C X:GLY98 4.1 30.5 1.0 SG X:CYS80 4.4 75.8 1.0 CA X:THR99 4.5 23.2 1.0 O X:HOH559 4.6 49.6 1.0 C X:PRO79 4.6 41.7 1.0 N X:ARG81 4.7 39.3 1.0 C X:CYS80 4.7 49.1 1.0 N X:THR99 4.8 24.5 1.0 C X:THR99 4.9 23.6 1.0 O X:HOH617 5.0 58.2 1.0

Mercury binding site 2 out of 5 in the Gtb 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 Gtb Mutant with Mercury - E303A within 5.0Å range: probe atom residue distance (Å) B Occ X:Hg402 b:39.3 occ:0.40 SG X:CYS209 2.1 26.8 0.5 OG1 X:THR119 2.7 27.2 1.0 CB X:CYS209 3.1 24.3 0.5 CB X:CYS209 3.2 23.9 0.5 HG X:HG403 3.8 31.1 0.3 SG X:CYS209 3.8 28.4 0.5 CB X:THR119 3.8 24.4 1.0 CG2 X:THR119 4.0 24.1 1.0 CA X:CYS209 4.0 22.3 0.5 CA X:CYS209 4.1 21.8 0.5 CG1 X:VAL277 4.5 24.1 1.0 N X:CYS209 4.5 21.3 0.5 N X:CYS209 4.6 21.1 0.5 C X:VAL208 4.9 21.6 1.0 O X:VAL208 4.9 22.5 1.0 CD1 X:LEU207 5.0 27.9 1.0

Mercury binding site 3 out of 5 in the Gtb 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 Gtb Mutant with Mercury - E303A within 5.0Å range: probe atom residue distance (Å) B Occ X:Hg403 b:31.1 occ:0.35 SG X:CYS209 2.3 28.4 0.5 O X:HOH620 2.7 24.7 1.0 OG1 X:THR119 3.1 27.2 1.0 CB X:CYS209 3.4 24.3 0.5 O X:THR119 3.5 24.2 1.0 CE1 X:PHE121 3.6 58.3 1.0 CD1 X:PHE121 3.6 55.3 1.0 CB X:CYS209 3.7 23.9 0.5 HG X:HG402 3.8 39.3 0.4 C X:THR119 3.8 24.1 1.0 CA X:CYS209 3.9 22.3 0.5 CB X:THR119 3.9 24.4 1.0 CA X:CYS209 3.9 21.8 0.5 O X:HOH533 4.2 30.6 1.0 O X:VAL210 4.3 21.8 1.0 N X:VAL210 4.3 21.6 1.0 N X:VAL120 4.3 22.5 1.0 C X:CYS209 4.4 23.0 0.5 C X:CYS209 4.4 22.8 0.5 CA X:VAL120 4.4 24.1 1.0 SG X:CYS209 4.5 26.8 0.5 CA X:THR119 4.5 22.3 1.0 N X:PHE121 4.8 28.2 1.0 C X:VAL120 4.8 28.2 1.0 CZ X:PHE121 4.9 56.7 1.0 CG X:PHE121 4.9 45.3 1.0

Mercury binding site 4 out of 5 in the Gtb 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 Gtb Mutant with Mercury - E303A within 5.0Å range: probe atom residue distance (Å) B Occ X:Hg404 b:43.4 occ:0.35 SG X:CYS284 2.3 34.9 1.0 CB X:CYS284 3.0 32.8 1.0 CD2 X:LEU280 3.7 31.6 1.0 N X:LEU306 3.8 25.8 1.0 CA X:LEU306 3.9 25.2 1.0 O X:ASP302 4.1 36.5 1.0 CB X:LEU306 4.1 25.2 1.0 C X:HIS305 4.4 26.3 1.0 CB X:HIS305 4.4 29.2 1.0 CA X:CYS284 4.4 28.5 1.0 CD1 X:LEU306 4.5 26.3 1.0 HG X:HG405 4.7 27.2 0.3 O X:LEU280 4.8 25.4 1.0 CG X:LEU280 4.8 28.4 1.0 O X:HIS305 4.9 23.9 1.0 CG X:LEU306 4.9 25.9 1.0 CE X:MET288 4.9 44.4 1.0 C X:ASP302 5.0 50.2 1.0

Mercury binding site 5 out of 5 in the Gtb Mutant with Mercury - E303A


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 - E303A within 5.0Å range: probe atom residue distance (Å) B Occ X:Hg405 b:27.2 occ:0.30 O X:HOH623 2.4 37.0 1.0 SG X:CYS284 2.6 34.9 1.0 O X:HIS305 3.1 23.9 1.0 O X:HOH601 3.1 41.0 1.0 CA X:CYS284 3.4 28.5 1.0 N X:CYS284 3.5 27.6 1.0 CB X:TYR309 3.6 24.7 1.0 CB X:CYS284 3.6 32.8 1.0 C X:HIS305 3.7 26.3 1.0 C X:ALA283 3.9 29.8 1.0 CB X:HIS305 4.0 29.2 1.0 CD1 X:TYR309 4.0 25.9 1.0 O X:ALA283 4.1 31.3 1.0 CG X:TYR309 4.2 25.0 1.0 CA X:HIS305 4.2 27.7 1.0 N X:TYR309 4.3 23.8 1.0 CA X:TYR309 4.3 25.1 1.0 CB X:ALA283 4.3 29.0 1.0 O X:LEU280 4.6 25.4 1.0 N X:LEU306 4.6 25.8 1.0 C X:CYS284 4.7 29.1 1.0 HG X:HG404 4.7 43.4 0.3 CA X:ALA283 4.8 31.0 1.0 ND1 X:HIS305 4.8 36.2 1.0 CG X:HIS305 4.9 34.3 1.0 CB X:ALA287 4.9 31.8 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