Mercury in PDB 5cmj: Gta Mutant with Mercury - E303Q

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

The structure of Gta Mutant with Mercury - E303Q, PDB code: 5cmj 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 / 1.73
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	52.700, 148.910, 79.590, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 20

The binding sites of Mercury atom in the Gta Mutant with Mercury - E303Q (pdb code 5cmj). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 5 binding sites of Mercury where determined in the Gta Mutant with Mercury - E303Q, PDB code: 5cmj:
Jump to Mercury binding site number: 1; 2; 3; 4; 5;

Mercury binding site 1 out of 5 in the Gta 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 Gta Mutant with Mercury - E303Q within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg401 b:35.2 occ:0.65 SG A:CYS284 2.4 38.5 1.0 O A:HOH678 2.4 64.0 1.0 CB A:CYS284 3.0 36.2 1.0 O A:HOH666 3.1 43.7 1.0 CD2 A:LEU280 3.4 25.7 1.0 N A:LEU306 4.0 25.1 1.0 CA A:LEU306 4.0 26.2 1.0 O A:ASP302 4.1 35.4 1.0 CB A:LEU306 4.1 25.2 1.0 CA A:CYS284 4.4 30.1 1.0 CD1 A:LEU306 4.5 27.0 1.0 CG A:LEU280 4.5 25.0 1.0 O A:LEU280 4.6 24.4 1.0 C A:HIS305 4.6 25.5 1.0 CB A:HIS305 4.8 29.4 1.0 CE A:MET288 4.9 21.3 1.0 CG A:LEU306 4.9 27.1 1.0 O A:HIS305 5.0 23.9 1.0 O A:HOH655 5.0 29.4 1.0

Mercury binding site 2 out of 5 in the Gta 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 Gta Mutant with Mercury - E303Q within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg402 b:34.3 occ:0.60 SG A:CYS209 2.3 32.2 1.0 OG1 A:THR119 2.9 29.4 1.0 CB A:CYS209 3.2 25.5 1.0 O A:HOH607 3.7 33.5 1.0 CB A:THR119 4.0 25.3 1.0 CG2 A:THR119 4.1 29.9 1.0 CA A:CYS209 4.1 21.5 1.0 CG1 A:VAL277 4.2 23.4 1.0 CD1 A:LEU207 4.7 30.3 1.0 N A:CYS209 4.7 21.9 1.0 CZ A:PHE270 4.9 26.4 1.0

Mercury binding site 3 out of 5 in the Gta 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 Gta Mutant with Mercury - E303Q within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg403 b:31.2 occ:0.90 SG A:CYS80 2.4 33.8 1.0 O A:GLY98 2.7 26.8 1.0 O A:HOH653 2.8 53.0 1.0 CB A:CYS80 3.3 33.8 1.0 CA A:CYS80 3.4 27.7 1.0 O A:HOH602 3.6 45.0 1.0 C A:GLY98 3.7 25.0 1.0 O A:HOH611 3.7 24.8 1.0 O A:HOH663 3.9 38.5 1.0 O A:CYS80 3.9 33.4 1.0 C A:CYS80 4.1 29.4 1.0 O A:HOH597 4.1 29.9 1.0 CA A:THR99 4.3 19.2 1.0 N A:THR99 4.4 19.8 1.0 O A:HOH640 4.5 24.7 1.0 CA A:GLY98 4.6 24.1 1.0 N A:CYS80 4.7 28.1 1.0 O A:THR99 4.8 21.6 1.0 C A:THR99 4.8 21.2 1.0

Mercury binding site 4 out of 5 in the Gta 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 Gta Mutant with Mercury - E303Q within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg404 b:30.8 occ:0.35 O A:HOH607 2.8 33.5 1.0 CB A:CYS209 3.5 25.5 1.0 C A:CYS209 3.5 21.1 1.0 N A:VAL210 3.6 22.7 1.0 O A:VAL210 3.7 23.2 1.0 O A:CYS209 3.9 20.0 1.0 CA A:CYS209 3.9 21.5 1.0 C A:VAL210 4.0 22.9 1.0 CE1 A:PHE270 4.0 27.3 1.0 CA A:VAL210 4.1 21.3 1.0 O A:HOH549 4.2 33.0 1.0 O A:GLY267 4.4 35.0 1.0 CZ A:PHE270 4.6 26.4 1.0 N A:ASP211 4.7 22.8 1.0 CD1 A:PHE270 4.8 25.0 1.0 O A:THR119 4.9 25.2 1.0 OD1 A:ASP211 5.0 30.0 1.0

Mercury binding site 5 out of 5 in the Gta Mutant with Mercury - E303Q


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 5 of Gta Mutant with Mercury - E303Q within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg405 b:61.1 occ:0.40 SG A:CYS196 2.6 68.2 1.0 CB A:CYS196 3.0 59.9 1.0 NH2 A:ARG198 3.3 72.8 1.0 CZ A:ARG198 3.4 71.6 1.0 CA A:CYS196 3.6 64.8 1.0 NH1 A:ARG198 3.8 62.7 1.0 NE A:ARG198 3.9 73.7 1.0 C A:CYS196 4.2 59.8 1.0 N A:GLU197 4.2 58.5 1.0 CD A:ARG198 4.3 66.9 1.0 CG A:ARG198 4.8 61.3 1.0 N A:ARG198 4.8 52.2 1.0 N A:CYS196 4.9 66.4 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