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Mercury in PDB 5n83: Structure of the Distal Domain of Mouse Adenovirus 2 Fibre, Methylmercury Chloride Derivative

Protein crystallography data

The structure of Structure of the Distal Domain of Mouse Adenovirus 2 Fibre, Methylmercury Chloride Derivative, PDB code: 5n83 was solved by A.K.Singh, M.J.Van Raaij, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 82.14 / 2.76
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 92.116, 164.285, 96.432, 90.00, 90.00, 90.00
R / Rfree (%) 20.3 / 24.8

Mercury Binding Sites:

The binding sites of Mercury atom in the Structure of the Distal Domain of Mouse Adenovirus 2 Fibre, Methylmercury Chloride Derivative (pdb code 5n83). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 5 binding sites of Mercury where determined in the Structure of the Distal Domain of Mouse Adenovirus 2 Fibre, Methylmercury Chloride Derivative, PDB code: 5n83:
Jump to Mercury binding site number: 1; 2; 3; 4; 5;

Mercury binding site 1 out of 5 in 5n83

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Mercury binding site 1 out of 5 in the Structure of the Distal Domain of Mouse Adenovirus 2 Fibre, Methylmercury Chloride Derivative


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Structure of the Distal Domain of Mouse Adenovirus 2 Fibre, Methylmercury Chloride Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg801

b:49.3
occ:0.50
SG A:CYS696 1.6 39.2 1.0
CB A:CYS696 2.9 43.7 1.0
SD A:MET643 3.0 54.1 1.0
CE A:MET643 3.2 58.0 1.0
CB A:THR698 3.5 65.9 1.0
SD A:MET701 3.7 42.5 1.0
N A:GLY699 3.8 73.2 1.0
CA A:CYS696 3.9 45.0 1.0
OG1 A:THR698 3.9 65.0 1.0
O A:GLY699 4.0 61.9 1.0
N A:THR698 4.1 64.0 1.0
CE1 A:PHE689 4.2 39.3 1.0
O A:GLN688 4.2 52.3 1.0
CA A:THR698 4.2 65.6 1.0
CD2 A:LEU687 4.3 54.9 1.0
CZ A:PHE689 4.3 39.8 1.0
C A:THR698 4.4 70.7 1.0
CG A:MET701 4.4 46.5 1.0
C A:CYS696 4.4 45.5 1.0
CG2 A:THR698 4.4 64.6 1.0
CA A:GLY699 4.6 69.8 1.0
C A:GLY699 4.6 68.7 1.0
N A:LEU697 4.7 52.1 1.0
CB A:LEU687 4.7 50.1 1.0
CG A:MET643 4.7 50.5 1.0
CD1 A:PHE689 4.8 40.2 1.0
N A:GLN688 4.8 47.5 1.0

Mercury binding site 2 out of 5 in 5n83

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Mercury binding site 2 out of 5 in the Structure of the Distal Domain of Mouse Adenovirus 2 Fibre, Methylmercury Chloride Derivative


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Structure of the Distal Domain of Mouse Adenovirus 2 Fibre, Methylmercury Chloride Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg802

b:83.1
occ:0.50
SG A:CYS748 1.9 68.0 1.0
OG A:SER765 2.0 87.0 1.0
N A:SER765 2.8 77.8 1.0
CB A:CYS748 2.9 58.8 1.0
CA A:SER765 2.9 82.7 1.0
CB A:SER765 3.0 85.0 1.0
C A:LYS764 3.2 66.2 1.0
CA A:CYS748 3.5 55.7 1.0
O A:LYS764 3.6 70.6 1.0
N A:LYS764 3.7 49.6 1.0
CB A:LEU763 4.0 42.8 1.0
CZ A:PHE774 4.1 61.1 1.0
CA A:LYS764 4.1 57.8 1.0
CE1 A:PHE774 4.1 56.9 1.0
C A:LEU763 4.1 45.2 1.0
C A:CYS748 4.2 54.1 1.0
N A:SER749 4.2 51.1 1.0
O A:SER749 4.2 44.1 1.0
C A:SER765 4.4 83.7 1.0
CA A:LEU763 4.5 42.7 1.0
O A:LEU763 4.7 44.0 1.0
N A:CYS748 4.8 57.5 1.0
O A:TYR747 4.9 51.9 1.0
CD1 A:TRP685 4.9 55.2 1.0
CE2 A:PHE774 5.0 63.6 1.0

Mercury binding site 3 out of 5 in 5n83

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Mercury binding site 3 out of 5 in the Structure of the Distal Domain of Mouse Adenovirus 2 Fibre, Methylmercury Chloride Derivative


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Structure of the Distal Domain of Mouse Adenovirus 2 Fibre, Methylmercury Chloride Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg801

b:47.6
occ:0.20
SG B:CYS748 1.7 66.7 1.0
OG B:SER765 2.1 71.8 1.0
CB B:CYS748 2.9 61.5 1.0
N B:SER765 3.1 68.2 1.0
CB B:SER765 3.2 69.9 1.0
CA B:SER765 3.2 69.8 1.0
C B:LYS764 3.5 65.0 1.0
CA B:CYS748 3.7 56.3 1.0
CB B:LEU763 3.8 50.7 1.0
CE1 B:PHE774 3.9 45.4 1.0
N B:LYS764 3.9 59.3 1.0
O B:LYS764 3.9 67.6 1.0
CZ B:PHE774 3.9 45.7 1.0
C B:LEU763 4.2 50.9 1.0
O B:SER749 4.2 51.7 1.0
CA B:LYS764 4.3 64.0 1.0
C B:CYS748 4.3 51.5 1.0
N B:SER749 4.4 50.4 1.0
CA B:LEU763 4.5 49.0 1.0
CD1 B:TRP685 4.7 54.9 1.0
O B:LEU763 4.7 52.4 1.0
C B:SER765 4.7 69.3 1.0
CD1 B:LEU763 4.8 53.5 1.0
CG B:LEU763 4.9 51.6 1.0
CD1 B:PHE774 4.9 46.6 1.0
CE2 B:PHE774 4.9 48.4 1.0
N B:CYS748 4.9 56.1 1.0

Mercury binding site 4 out of 5 in 5n83

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Mercury binding site 4 out of 5 in the Structure of the Distal Domain of Mouse Adenovirus 2 Fibre, Methylmercury Chloride Derivative


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Structure of the Distal Domain of Mouse Adenovirus 2 Fibre, Methylmercury Chloride Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Hg801

b:81.9
occ:0.50
SG C:CYS748 1.9 78.5 1.0
OG C:SER765 2.0 65.8 1.0
N C:SER765 2.8 67.5 1.0
CA C:SER765 3.0 70.2 1.0
CB C:SER765 3.0 69.5 1.0
CB C:CYS748 3.0 67.9 1.0
C C:LYS764 3.2 64.0 1.0
CA C:CYS748 3.6 62.2 1.0
O C:LYS764 3.7 67.7 1.0
N C:LYS764 3.7 59.8 1.0
CB C:LEU763 3.8 49.2 1.0
C C:LEU763 4.0 54.0 1.0
CA C:LYS764 4.0 62.5 1.0
CZ C:PHE774 4.0 54.3 1.0
CE2 C:PHE774 4.1 56.0 1.0
O C:SER749 4.2 57.7 1.0
N C:SER749 4.3 55.5 1.0
C C:CYS748 4.3 59.1 1.0
CA C:LEU763 4.4 49.4 1.0
C C:SER765 4.5 75.6 1.0
O C:LEU763 4.5 56.3 1.0
CD1 C:TRP685 4.7 73.0 1.0
N C:CYS748 4.9 61.4 1.0
CD1 C:LEU763 4.9 52.5 1.0
CG C:LEU763 5.0 49.9 1.0

Mercury binding site 5 out of 5 in 5n83

Go back to Mercury Binding Sites List in 5n83
Mercury binding site 5 out of 5 in the Structure of the Distal Domain of Mouse Adenovirus 2 Fibre, Methylmercury Chloride Derivative


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 5 of Structure of the Distal Domain of Mouse Adenovirus 2 Fibre, Methylmercury Chloride Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Hg802

b:88.1
occ:0.20
SG C:CYS736 1.5 84.7 1.0
OG1 C:THR767 3.2 0.1 1.0
CB C:CYS736 3.2 79.7 1.0
CB C:THR767 3.3 0.1 1.0
O C:LYS771 3.7 0.3 1.0
CA C:PRO772 3.9 87.8 1.0
CD1 C:PHE774 4.0 55.6 1.0
CA C:CYS736 4.1 77.9 1.0
CD1 C:ILE734 4.2 56.0 1.0
CA C:THR767 4.2 0.3 1.0
CE1 C:PHE774 4.3 54.9 1.0
CG2 C:THR746 4.4 58.6 1.0
C C:LYS771 4.4 0.5 1.0
CG2 C:THR767 4.5 0.2 1.0
N C:ILE773 4.5 73.5 1.0
N C:THR767 4.6 0.3 1.0
N C:PRO772 4.6 95.9 1.0
N C:CYS736 4.6 75.5 1.0
CB C:PRO772 4.7 88.4 1.0
C C:PRO772 4.8 78.9 1.0
OE1 C:GLN683 4.8 87.6 1.0
CB C:SER765 4.9 69.5 1.0
CB C:CYS770 5.0 99.7 1.0
CG C:PHE774 5.0 55.4 1.0

Reference:

A.K.Singh, T.H.Nguyen, M.Z.Vidovszky, B.Harrach, M.Benko, A.Kirwan, L.Joshi, M.Kilcoyne, M.A.Berbis, F.J.Canada, J.Jimenez-Barbero, M.Menendez, S.S.Wilson, B.A.Bromme, J.G.Smith, M.J.Van Raaij. Structure and N-Acetylglucosamine Binding of the Distal Domain of Mouse Adenovirus 2 Fibre. J. Gen. Virol. V. 99 1494 2018.
ISSN: ESSN 1465-2099
PubMed: 30277856
DOI: 10.1099/JGV.0.001145
Page generated: Sun Dec 13 19:13:02 2020

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