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Mercury in PDB 1r81: Glycosyltransferase A in Complex with 3-Amino-Acceptor Analog Inhibitor and Uridine Diphosphate-N-Acetyl-Galactose

Enzymatic activity of Glycosyltransferase A in Complex with 3-Amino-Acceptor Analog Inhibitor and Uridine Diphosphate-N-Acetyl-Galactose

All present enzymatic activity of Glycosyltransferase A in Complex with 3-Amino-Acceptor Analog Inhibitor and Uridine Diphosphate-N-Acetyl-Galactose:
2.4.1.40;

Protein crystallography data

The structure of Glycosyltransferase A in Complex with 3-Amino-Acceptor Analog Inhibitor and Uridine Diphosphate-N-Acetyl-Galactose, PDB code: 1r81 was solved by H.P.Nguyen, N.O.L.Seto, Y.Cai, E.K.Leinala, S.N.Borisova, M.M.Palcic, S.V.Evans, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.61 / 1.75
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 52.600, 149.400, 79.700, 90.00, 90.00, 90.00
R / Rfree (%) 21.4 / 22.7

Mercury Binding Sites:

The binding sites of Mercury atom in the Glycosyltransferase A in Complex with 3-Amino-Acceptor Analog Inhibitor and Uridine Diphosphate-N-Acetyl-Galactose (pdb code 1r81). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 4 binding sites of Mercury where determined in the Glycosyltransferase A in Complex with 3-Amino-Acceptor Analog Inhibitor and Uridine Diphosphate-N-Acetyl-Galactose, PDB code: 1r81:
Jump to Mercury binding site number: 1; 2; 3; 4;

Mercury binding site 1 out of 4 in 1r81

Go back to Mercury Binding Sites List in 1r81
Mercury binding site 1 out of 4 in the Glycosyltransferase A in Complex with 3-Amino-Acceptor Analog Inhibitor and Uridine Diphosphate-N-Acetyl-Galactose


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Glycosyltransferase A in Complex with 3-Amino-Acceptor Analog Inhibitor and Uridine Diphosphate-N-Acetyl-Galactose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg401

b:50.9
occ:0.50
 SG A:CYS284 2.6 33.5 1.0
SD A:MET288 2.7 41.5 1.0
OD1 A:ASP302 3.0 41.6 1.0
CB A:CYS284 3.5 29.9 1.0
C A:CYS284 3.7 28.6 1.0
N A:HIS285 3.7 28.7 1.0
CG A:MET288 3.8 34.7 1.0
O A:CYS284 3.8 27.6 1.0
CA A:HIS285 4.0 31.0 1.0
CA A:CYS284 4.2 27.2 1.0
CG A:ASP302 4.2 38.3 1.0
CE A:MET288 4.2 40.5 1.0
HG A:HG402 4.4 45.5 0.5
CB A:MET288 4.7 31.3 1.0
CB A:HIS285 4.8 34.0 1.0
O A:THR281 4.8 23.4 1.0
CB A:ASP302 4.8 34.6 1.0

Mercury binding site 2 out of 4 in 1r81

Go back to Mercury Binding Sites List in 1r81
Mercury binding site 2 out of 4 in the Glycosyltransferase A in Complex with 3-Amino-Acceptor Analog Inhibitor and Uridine Diphosphate-N-Acetyl-Galactose


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Glycosyltransferase A in Complex with 3-Amino-Acceptor Analog Inhibitor and Uridine Diphosphate-N-Acetyl-Galactose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg402

b:45.5
occ:0.50
 SG A:CYS284 2.7 33.5 1.0
CB A:CYS284 3.0 29.9 1.0
CD2 A:LEU280 3.6 21.8 1.0
O A:ASP302 3.8 26.9 1.0
CB A:LEU306 4.1 19.9 1.0
N A:LEU306 4.1 19.7 1.0
CA A:LEU306 4.2 19.9 1.0
HG A:HG401 4.4 50.9 0.5
CA A:CYS284 4.5 27.2 1.0
C A:ASP302 4.6 27.7 1.0
CD1 A:LEU306 4.6 21.1 1.0
O A:LEU280 4.7 21.1 1.0
C A:HIS305 4.8 21.7 1.0
CB A:HIS305 4.8 24.9 1.0
CB A:ASP302 4.8 34.6 1.0
CG A:LEU280 4.9 18.8 1.0
CA A:ASP302 4.9 30.6 1.0

Mercury binding site 3 out of 4 in 1r81

Go back to Mercury Binding Sites List in 1r81
Mercury binding site 3 out of 4 in the Glycosyltransferase A in Complex with 3-Amino-Acceptor Analog Inhibitor and Uridine Diphosphate-N-Acetyl-Galactose


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Glycosyltransferase A in Complex with 3-Amino-Acceptor Analog Inhibitor and Uridine Diphosphate-N-Acetyl-Galactose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg403

b:34.6
occ:1.00
 SG A:CYS209 2.3 24.2 1.0
OG1 A:THR119 3.0 23.4 1.0
CB A:CYS209 3.3 21.7 1.0
O A:HOH517 3.8 34.2 1.0
CB A:THR119 4.0 19.1 1.0
CG2 A:THR119 4.0 21.5 1.0
CG1 A:VAL277 4.2 17.3 1.0
CA A:CYS209 4.2 18.5 1.0
CD1 A:LEU207 4.6 22.6 1.0
N A:CYS209 4.7 18.0 1.0
CB A:LEU207 4.9 20.9 1.0
CZ A:PHE270 4.9 20.2 1.0

Mercury binding site 4 out of 4 in 1r81

Go back to Mercury Binding Sites List in 1r81
Mercury binding site 4 out of 4 in the Glycosyltransferase A in Complex with 3-Amino-Acceptor Analog Inhibitor and Uridine Diphosphate-N-Acetyl-Galactose


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Glycosyltransferase A in Complex with 3-Amino-Acceptor Analog Inhibitor and Uridine Diphosphate-N-Acetyl-Galactose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg404

b:46.3
occ:1.00
 SG A:CYS80 2.5 46.2 1.0
CB A:CYS80 2.8 40.9 1.0
O A:GLY98 2.8 27.2 1.0
CA A:CYS80 3.1 40.0 1.0
O A:HOH549 3.8 50.0 1.0
C A:GLY98 4.0 24.5 1.0
N A:CYS80 4.1 39.2 1.0
O A:HOH578 4.1 34.3 1.0
C A:CYS80 4.2 38.5 1.0
CA A:THR99 4.3 21.3 1.0
O A:CYS80 4.5 39.5 1.0
N A:THR99 4.6 20.8 1.0
C A:THR99 4.8 21.3 1.0
O A:THR99 4.8 23.0 1.0
C A:PRO79 4.9 39.2 1.0

Reference:

H.P.Nguyen, N.O.L.Seto, Y.Cai, E.K.Leinala, S.N.Borisova, M.M.Palcic, S.V.Evans. The Influence of An Intramolecular Hydrogen Bond in Differential Recognition of Inhibitory Acceptor Analogs By Human Abo(H) Blood Group A and B Glycosyltransferases J.Biol.Chem. V. 278 49191 2003.
ISSN: ISSN 0021-9258
PubMed: 12972418
DOI: 10.1074/JBC.M308770200
Page generated: Sun Aug 11 01:24:11 2024

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