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Mercury in PDB 1r7v: Glycosyltransferase A in Complex with 3-Amino-Acceptor Analog Inhibitor

Enzymatic activity of Glycosyltransferase A in Complex with 3-Amino-Acceptor Analog Inhibitor

All present enzymatic activity of Glycosyltransferase A in Complex with 3-Amino-Acceptor Analog Inhibitor:
2.4.1.40;

Protein crystallography data

The structure of Glycosyltransferase A in Complex with 3-Amino-Acceptor Analog Inhibitor, PDB code: 1r7v 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) 19.32 / 2.09
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 52.600, 150.600, 79.700, 90.00, 90.00, 90.00
R / Rfree (%) 20.7 / 24.2

Mercury Binding Sites:

The binding sites of Mercury atom in the Glycosyltransferase A in Complex with 3-Amino-Acceptor Analog Inhibitor (pdb code 1r7v). 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, PDB code: 1r7v:
Jump to Mercury binding site number: 1; 2; 3; 4;

Mercury binding site 1 out of 4 in 1r7v

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Mercury binding site 1 out of 4 in the Glycosyltransferase A in Complex with 3-Amino-Acceptor Analog Inhibitor


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg401

b:0.1
occ:0.50
CD2 A:HIS285 2.8 47.2 1.0
SD A:MET288 2.9 47.4 1.0
OD1 A:ASP302 3.2 56.3 1.0
NE2 A:HIS285 3.4 49.1 1.0
CB A:CYS284 3.8 42.4 1.0
N A:HIS285 3.9 40.9 1.0
CG A:HIS285 4.0 47.7 1.0
C A:CYS284 4.1 40.8 1.0
CG A:MET288 4.1 48.3 1.0
HG A:HG404 4.1 97.5 1.0
CA A:HIS285 4.1 42.9 1.0
CE A:MET288 4.2 50.2 1.0
O A:CYS284 4.3 41.9 1.0
CG A:ASP302 4.5 56.8 1.0
CA A:CYS284 4.6 41.3 1.0
CE1 A:HIS285 4.7 49.6 1.0
CB A:HIS285 4.7 43.3 1.0
O A:THR281 4.7 32.0 1.0
ND1 A:HIS285 5.0 49.8 1.0

Mercury binding site 2 out of 4 in 1r7v

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Mercury binding site 2 out of 4 in the Glycosyltransferase A in Complex with 3-Amino-Acceptor Analog Inhibitor


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg402

b:69.4
occ:0.50
SG A:CYS284 2.7 50.1 1.0
O A:HOH502 2.9 49.4 1.0
O A:HOH640 3.0 45.8 1.0
O A:HIS305 3.2 32.0 1.0
CA A:CYS284 3.4 41.3 1.0
CB A:TYR309 3.5 26.1 1.0
N A:CYS284 3.5 37.8 1.0
O A:HOH607 3.6 61.0 1.0
CB A:CYS284 3.6 42.4 1.0
CB A:HIS305 3.8 39.1 1.0
C A:HIS305 3.8 34.8 1.0
C A:ALA283 3.9 37.5 1.0
CD1 A:TYR309 4.1 28.4 1.0
O A:ALA283 4.1 36.1 1.0
CG A:TYR309 4.2 27.0 1.0
CB A:ALA283 4.2 35.2 1.0
CA A:HIS305 4.2 36.4 1.0
N A:TYR309 4.3 27.5 1.0
CA A:TYR309 4.3 26.6 1.0
CB A:ALA287 4.5 42.6 1.0
O A:LEU280 4.6 32.5 1.0
CG A:HIS305 4.7 43.7 1.0
CA A:ALA283 4.7 36.7 1.0
N A:LEU306 4.7 31.3 1.0
C A:CYS284 4.8 40.8 1.0
CD2 A:HIS305 4.8 45.5 1.0

Mercury binding site 3 out of 4 in 1r7v

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Mercury binding site 3 out of 4 in the Glycosyltransferase A in Complex with 3-Amino-Acceptor Analog Inhibitor


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg403

b:62.4
occ:1.00
SG A:CYS209 2.7 34.7 1.0
OG1 A:THR119 2.9 22.4 1.0
CB A:CYS209 3.3 27.1 1.0
O A:HOH571 3.5 16.5 1.0
CB A:THR119 3.9 26.2 1.0
CG2 A:THR119 3.9 26.0 1.0
CA A:CYS209 4.3 28.6 1.0
CG1 A:VAL277 4.3 26.7 1.0
N A:CYS209 4.8 27.3 1.0
CD1 A:LEU207 4.8 27.2 1.0
CZ A:PHE270 4.9 27.4 1.0
CB A:LEU207 5.0 27.1 1.0

Mercury binding site 4 out of 4 in 1r7v

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Mercury binding site 4 out of 4 in the Glycosyltransferase A in Complex with 3-Amino-Acceptor Analog Inhibitor


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg404

b:97.5
occ:1.00
SG A:CYS284 3.1 50.1 1.0
CB A:CYS284 3.4 42.4 1.0
O A:ASP302 4.0 45.8 1.0
CD2 A:LEU280 4.0 29.4 1.0
HG A:HG401 4.1 0.1 0.5
CB A:LEU306 4.5 31.7 1.0
N A:LEU306 4.5 31.3 1.0
CA A:LEU306 4.6 33.2 1.0
OD1 A:ASP302 4.6 56.3 1.0
CB A:ASP302 4.7 52.7 1.0
C A:ASP302 4.7 46.5 1.0
CD1 A:LEU306 4.8 34.3 1.0
CA A:ASP302 4.8 49.0 1.0
CB A:HIS305 4.9 39.1 1.0
CA A:CYS284 4.9 41.3 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: Wed Oct 28 18:40:30 2020

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