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Mercury in PDB 2a8u: Crystal Structure of Human Galactosyltransferase (Gtb) Complexed with Beta-Methyl Lactoside

Protein crystallography data

The structure of Crystal Structure of Human Galactosyltransferase (Gtb) Complexed with Beta-Methyl Lactoside, PDB code: 2a8u was solved by J.A.Letts, N.L.Rose, Y.R.Fang, C.H.Barry, S.N.Borisova, N.O.Seto, 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) 20.00 / 1.69
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 52.480, 150.690, 79.250, 90.00, 90.00, 90.00
R / Rfree (%) 20.8 / 23.2

Other elements in 2a8u:

The structure of Crystal Structure of Human Galactosyltransferase (Gtb) Complexed with Beta-Methyl Lactoside also contains other interesting chemical elements:

Manganese (Mn) 1 atom
Chlorine (Cl) 1 atom

Mercury Binding Sites:

The binding sites of Mercury atom in the Crystal Structure of Human Galactosyltransferase (Gtb) Complexed with Beta-Methyl Lactoside (pdb code 2a8u). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 5 binding sites of Mercury where determined in the Crystal Structure of Human Galactosyltransferase (Gtb) Complexed with Beta-Methyl Lactoside, PDB code: 2a8u:
Jump to Mercury binding site number: 1; 2; 3; 4; 5;

Mercury binding site 1 out of 5 in 2a8u

Go back to Mercury Binding Sites List in 2a8u
Mercury binding site 1 out of 5 in the Crystal Structure of Human Galactosyltransferase (Gtb) Complexed with Beta-Methyl Lactoside


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Crystal Structure of Human Galactosyltransferase (Gtb) Complexed with Beta-Methyl Lactoside within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg401

b:32.5
occ:0.40
SG A:CYS284 2.4 24.8 0.8
O A:HOH672 2.6 38.3 1.0
CB A:CYS284 3.1 22.8 0.8
CD2 A:LEU280 3.4 23.2 1.0
CA A:LEU306 3.8 20.7 1.0
N A:LEU306 3.8 21.7 1.0
O A:ASP302 3.9 28.5 1.0
CB A:LEU306 3.9 19.0 1.0
C A:HIS305 4.4 23.3 1.0
CD1 A:LEU306 4.4 20.8 1.0
CG A:LEU280 4.5 20.7 1.0
CB A:HIS305 4.5 25.8 1.0
CA A:CYS284 4.6 23.2 0.8
O A:LEU280 4.6 21.3 1.0
HG A:HG403 4.7 22.2 0.3
C A:ASP302 4.8 30.2 1.0
CG A:LEU306 4.8 21.3 1.0
O A:HIS305 4.8 22.6 1.0
O A:HOH671 4.9 30.3 1.0

Mercury binding site 2 out of 5 in 2a8u

Go back to Mercury Binding Sites List in 2a8u
Mercury binding site 2 out of 5 in the Crystal Structure of Human Galactosyltransferase (Gtb) Complexed with Beta-Methyl Lactoside


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Crystal Structure of Human Galactosyltransferase (Gtb) Complexed with Beta-Methyl Lactoside within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg402

b:31.5
occ:0.60
SG A:CYS209 2.4 29.3 1.0
O A:HOH666 2.5 34.4 1.0
OG1 A:THR119 2.9 25.6 1.0
CB A:CYS209 3.2 21.8 1.0
HG A:HG405 3.5 33.8 0.2
CB A:THR119 3.9 23.0 1.0
CG2 A:THR119 4.1 24.2 1.0
CA A:CYS209 4.2 18.9 1.0
CG1 A:VAL277 4.4 16.3 1.0
N A:CYS209 4.7 17.2 1.0
CD1 A:LEU207 4.9 23.6 1.0
CZ A:PHE270 4.9 21.9 1.0

Mercury binding site 3 out of 5 in 2a8u

Go back to Mercury Binding Sites List in 2a8u
Mercury binding site 3 out of 5 in the Crystal Structure of Human Galactosyltransferase (Gtb) Complexed with Beta-Methyl Lactoside


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Crystal Structure of Human Galactosyltransferase (Gtb) Complexed with Beta-Methyl Lactoside within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg403

b:22.2
occ:0.30
SG A:CYS284 2.5 24.8 0.8
O A:HOH668 2.6 35.1 1.0
O A:HIS305 3.2 22.6 1.0
CA A:CYS284 3.3 23.2 0.8
N A:CYS284 3.4 22.0 0.8
CB A:CYS284 3.4 22.8 0.8
O A:HOH669 3.5 39.4 1.0
CB A:TYR309 3.6 21.2 1.0
C A:HIS305 3.8 23.3 1.0
C A:ALA283 3.9 24.0 1.0
CB A:HIS305 3.9 25.8 1.0
CD1 A:TYR309 4.0 20.7 1.0
O A:ALA283 4.2 25.5 1.0
CG A:TYR309 4.2 19.9 1.0
CB A:ALA283 4.3 22.2 1.0
CA A:HIS305 4.3 24.5 1.0
N A:TYR309 4.3 21.3 1.0
CA A:TYR309 4.3 20.6 1.0
O A:LEU280 4.5 21.3 1.0
C A:CYS284 4.7 23.7 0.8
N A:LEU306 4.7 21.7 1.0
HG A:HG401 4.7 32.5 0.4
CA A:ALA283 4.7 24.1 1.0
CB A:ALA287 4.8 29.9 1.0
CG A:HIS305 4.8 27.6 1.0
CD2 A:HIS305 5.0 28.9 1.0

Mercury binding site 4 out of 5 in 2a8u

Go back to Mercury Binding Sites List in 2a8u
Mercury binding site 4 out of 5 in the Crystal Structure of Human Galactosyltransferase (Gtb) Complexed with Beta-Methyl Lactoside


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Crystal Structure of Human Galactosyltransferase (Gtb) Complexed with Beta-Methyl Lactoside within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg404

b:34.0
occ:0.40
O A:GLY98 2.7 24.9 1.0
SG A:CYS80 2.7 49.5 1.0
CB A:CYS80 3.0 44.3 1.0
CA A:CYS80 3.0 42.1 1.0
C A:GLY98 3.8 23.0 1.0
C A:CYS80 3.8 40.7 1.0
O A:CYS80 3.9 40.8 1.0
N A:CYS80 4.2 42.2 1.0
CA A:THR99 4.3 19.4 1.0
N A:THR99 4.5 21.1 1.0
O A:HOH586 4.6 42.3 1.0
CA A:GLY98 4.8 22.0 1.0
C A:THR99 4.9 20.8 1.0
N A:ARG81 4.9 38.7 1.0

Mercury binding site 5 out of 5 in 2a8u

Go back to Mercury Binding Sites List in 2a8u
Mercury binding site 5 out of 5 in the Crystal Structure of Human Galactosyltransferase (Gtb) Complexed with Beta-Methyl Lactoside


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 5 of Crystal Structure of Human Galactosyltransferase (Gtb) Complexed with Beta-Methyl Lactoside within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg405

b:33.8
occ:0.20
OG1 A:THR119 2.8 25.6 1.0
CL A:CL406 2.9 26.4 0.7
CE1 A:PHE121 3.1 37.4 1.0
CD1 A:PHE121 3.5 37.1 1.0
HG A:HG402 3.5 31.5 0.6
CB A:CYS209 3.6 21.8 1.0
O A:THR119 3.6 23.0 1.0
CB A:THR119 3.7 23.0 1.0
C A:THR119 3.9 22.1 1.0
CA A:CYS209 4.0 18.9 1.0
O A:HOH666 4.3 34.4 1.0
CZ A:PHE121 4.4 37.5 1.0
N A:VAL120 4.4 21.6 1.0
N A:VAL210 4.4 19.0 1.0
CA A:THR119 4.5 22.5 1.0
SG A:CYS209 4.5 29.3 1.0
C A:CYS209 4.5 17.9 1.0
O A:VAL210 4.6 18.8 1.0
CA A:VAL120 4.6 21.8 1.0
O A:HOH519 4.6 25.5 1.0
CG A:PHE121 4.8 34.2 1.0
CG2 A:THR119 4.9 24.2 1.0

Reference:

J.A.Letts, N.L.Rose, Y.R.Fang, C.H.Barry, S.N.Borisova, N.O.Seto, M.M.Palcic, S.V.Evans. Differential Recognition of the Type I and II H Antigen Acceptors By the Human Abo(H) Blood Group A and B Glycosyltransferases. J.Biol.Chem. V. 281 3625 2006.
ISSN: ISSN 0021-9258
PubMed: 16326711
DOI: 10.1074/JBC.M507620200
Page generated: Wed Oct 28 18:41:14 2020

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