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Mercury in PDB 1r80: Glycosyltransferase B in Complex with 3-Amino-Acceptor Analog Inhibitor and Uridine Diphosphate

Enzymatic activity of Glycosyltransferase B in Complex with 3-Amino-Acceptor Analog Inhibitor and Uridine Diphosphate

All present enzymatic activity of Glycosyltransferase B in Complex with 3-Amino-Acceptor Analog Inhibitor and Uridine Diphosphate:
2.4.1.37;

Protein crystallography data

The structure of Glycosyltransferase B in Complex with 3-Amino-Acceptor Analog Inhibitor and Uridine Diphosphate, PDB code: 1r80 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) 49.65 / 1.65
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 52.600, 150.500, 79.300, 90.00, 90.00, 90.00
R / Rfree (%) 20.9 / 22.8

Other elements in 1r80:

The structure of Glycosyltransferase B in Complex with 3-Amino-Acceptor Analog Inhibitor and Uridine Diphosphate also contains other interesting chemical elements:

Manganese (Mn) 1 atom

Mercury Binding Sites:

The binding sites of Mercury atom in the Glycosyltransferase B in Complex with 3-Amino-Acceptor Analog Inhibitor and Uridine Diphosphate (pdb code 1r80). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 3 binding sites of Mercury where determined in the Glycosyltransferase B in Complex with 3-Amino-Acceptor Analog Inhibitor and Uridine Diphosphate, PDB code: 1r80:
Jump to Mercury binding site number: 1; 2; 3;

Mercury binding site 1 out of 3 in 1r80

Go back to Mercury Binding Sites List in 1r80
Mercury binding site 1 out of 3 in the Glycosyltransferase B in Complex with 3-Amino-Acceptor Analog Inhibitor and Uridine Diphosphate


Mono view


Stereo pair view

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

b:32.5
occ:0.50
SG A:CYS284 2.5 25.1 1.0
CB A:CYS284 3.1 22.5 1.0
CD2 A:LEU280 3.6 17.8 1.0
O A:ASP302 3.7 16.7 1.0
N A:LEU306 3.9 13.8 1.0
CA A:LEU306 3.9 12.6 1.0
CB A:LEU306 4.0 10.7 1.0
C A:HIS305 4.5 14.3 1.0
C A:ASP302 4.5 18.7 1.0
CD1 A:LEU306 4.5 13.2 1.0
CB A:HIS305 4.6 15.8 1.0
CA A:CYS284 4.6 20.8 1.0
O A:HOH620 4.7 18.4 1.0
CB A:ASP302 4.8 25.8 1.0
O A:LEU280 4.8 14.8 1.0
CG A:LEU280 4.9 15.2 1.0
CA A:ASP302 4.9 21.0 1.0
CG A:LEU306 4.9 12.3 1.0
O A:HIS305 5.0 14.1 1.0

Mercury binding site 2 out of 3 in 1r80

Go back to Mercury Binding Sites List in 1r80
Mercury binding site 2 out of 3 in the Glycosyltransferase B in Complex with 3-Amino-Acceptor Analog Inhibitor and Uridine Diphosphate


Mono view


Stereo pair view

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

b:35.5
occ:0.50
SG A:CYS284 2.6 25.1 1.0
O A:HIS305 3.2 14.1 1.0
CA A:CYS284 3.3 20.8 1.0
N A:CYS284 3.4 18.0 1.0
CB A:CYS284 3.5 22.5 1.0
CB A:TYR309 3.6 11.6 1.0
C A:ALA283 3.8 19.1 1.0
C A:HIS305 3.9 14.3 1.0
CB A:HIS305 3.9 15.8 1.0
O A:ALA283 4.0 19.6 1.0
CD1 A:TYR309 4.0 11.1 1.0
CG A:TYR309 4.2 11.1 1.0
CB A:ALA283 4.2 17.4 1.0
CA A:HIS305 4.3 13.9 1.0
N A:TYR309 4.3 13.8 1.0
CA A:TYR309 4.3 12.4 1.0
O A:LEU280 4.6 14.8 1.0
C A:CYS284 4.6 21.1 1.0
CB A:ALA287 4.7 21.1 1.0
CA A:ALA283 4.7 17.6 1.0
N A:LEU306 4.7 13.8 1.0
CG A:HIS305 4.8 16.9 1.0
CD2 A:HIS305 4.9 17.5 1.0

Mercury binding site 3 out of 3 in 1r80

Go back to Mercury Binding Sites List in 1r80
Mercury binding site 3 out of 3 in the Glycosyltransferase B in Complex with 3-Amino-Acceptor Analog Inhibitor and Uridine Diphosphate


Mono view


Stereo pair view

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

b:37.7
occ:1.00
SG A:CYS209 2.4 21.8 1.0
O A:HOH477 2.5 19.1 1.0
OG1 A:THR119 2.9 19.4 1.0
CB A:CYS209 3.3 16.0 1.0
O A:HOH611 3.7 13.7 1.0
CB A:THR119 3.9 14.6 1.0
CG2 A:THR119 4.0 16.3 1.0
CA A:CYS209 4.2 12.9 1.0
CG1 A:VAL277 4.3 11.4 1.0
N A:CYS209 4.7 13.5 1.0
CD1 A:LEU207 4.7 18.8 1.0
CB A:LEU207 4.9 16.5 1.0
O A:VAL208 5.0 14.5 1.0
C A:VAL208 5.0 13.2 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 01:24:04 2024

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