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Mercury in PDB 6bri: Rhcc with Unreduced and Reduced Mercury Complexes

Protein crystallography data

The structure of Rhcc with Unreduced and Reduced Mercury Complexes, PDB code: 6bri was solved by M.Mcdougall, B.Trieu, J.Stetefeld, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.69 / 3.27
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 108.823, 108.823, 70.388, 90.00, 90.00, 120.00
R / Rfree (%) 28.2 / 30

Other elements in 6bri:

The structure of Rhcc with Unreduced and Reduced Mercury Complexes also contains other interesting chemical elements:

Potassium (K) 6 atoms
Iodine (I) 17 atoms
Sodium (Na) 2 atoms

Mercury Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Mercury atom in the Rhcc with Unreduced and Reduced Mercury Complexes (pdb code 6bri). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 13 binding sites of Mercury where determined in the Rhcc with Unreduced and Reduced Mercury Complexes, PDB code: 6bri:
Jump to Mercury binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Mercury binding site 1 out of 13 in 6bri

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Mercury binding site 1 out of 13 in the Rhcc with Unreduced and Reduced Mercury Complexes


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Rhcc with Unreduced and Reduced Mercury Complexes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg101

b:95.6
occ:0.57
I A:IOD102 2.9 39.8 0.6
I D:IOD102 3.0 85.1 0.6
I A:IOD103 3.4 57.6 0.6
I A:IOD104 3.6 65.3 0.6
CD1 D:ILE4 4.2 49.3 1.0
CD1 A:ILE4 4.5 33.4 1.0
CG1 A:ILE4 4.6 19.2 1.0
K B:K108 4.7 45.1 1.0
CB C:ALA8 4.9 71.5 1.0

Mercury binding site 2 out of 13 in 6bri

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Mercury binding site 2 out of 13 in the Rhcc with Unreduced and Reduced Mercury Complexes


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Rhcc with Unreduced and Reduced Mercury Complexes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg105

b:43.0
occ:0.60
HG1 A:HGN105 0.0 43.0 0.6
HG2 A:HGN105 2.0 36.8 0.4
HG1 A:HGN105 2.1 45.2 0.4
HG2 A:HGN105 3.2 45.3 0.6
CD1 B:LEU26 4.0 31.1 1.0
CD1 C:LEU26 4.3 18.9 1.0
CG2 C:ILE19 4.6 32.3 1.0
CD1 A:LEU26 4.8 38.9 1.0
CB B:ARG22 4.9 33.3 1.0

Mercury binding site 3 out of 13 in 6bri

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Mercury binding site 3 out of 13 in the Rhcc with Unreduced and Reduced Mercury Complexes


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Rhcc with Unreduced and Reduced Mercury Complexes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg105

b:45.2
occ:0.40
HG1 A:HGN105 0.0 45.2 0.4
HG1 A:HGN105 2.1 43.0 0.6
HG2 A:HGN105 2.6 45.3 0.6
HG2 A:HGN105 3.2 36.8 0.4
CD1 C:LEU26 3.3 18.9 1.0
CD1 D:LEU26 3.9 21.0 1.0
CA D:TYR23 4.4 20.1 1.0
N D:TYR23 4.4 22.4 1.0
CB D:TYR23 4.5 12.2 1.0
CB C:ARG22 4.6 23.9 1.0
CG C:LEU26 4.7 15.4 1.0
CD1 A:LEU26 4.8 38.9 1.0
CD1 B:LEU26 4.8 31.1 1.0
C D:ARG22 4.9 21.0 1.0

Mercury binding site 4 out of 13 in 6bri

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Mercury binding site 4 out of 13 in the Rhcc with Unreduced and Reduced Mercury Complexes


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Rhcc with Unreduced and Reduced Mercury Complexes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg105

b:45.3
occ:0.60
HG2 A:HGN105 0.0 45.3 0.6
HG2 A:HGN105 2.4 36.8 0.4
HG1 A:HGN105 2.6 45.2 0.4
HG1 A:HGN105 3.2 43.0 0.6
CD1 D:LEU26 3.5 21.0 1.0
CD1 A:LEU26 3.6 38.9 1.0
CA A:TYR23 3.9 31.7 1.0
N A:TYR23 4.0 26.8 1.0
CB A:TYR23 4.0 23.2 1.0
CB D:ARG22 4.2 21.0 1.0
C A:ARG22 4.5 35.9 1.0
CB A:ARG22 4.6 24.7 1.0
O A:ILE19 4.6 35.8 1.0
O A:ARG22 4.7 41.2 1.0
CG D:LEU26 4.8 20.3 1.0
CG A:LEU26 4.8 44.9 1.0
CD1 A:TYR23 5.0 27.8 1.0

Mercury binding site 5 out of 13 in 6bri

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Mercury binding site 5 out of 13 in the Rhcc with Unreduced and Reduced Mercury Complexes


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 5 of Rhcc with Unreduced and Reduced Mercury Complexes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg105

b:36.8
occ:0.40
HG2 A:HGN105 0.0 36.8 0.4
HG1 A:HGN105 2.0 43.0 0.6
HG2 A:HGN105 2.4 45.3 0.6
HG1 A:HGN105 3.2 45.2 0.4
CD1 A:LEU26 3.5 38.9 1.0
CB A:ARG22 4.1 24.7 1.0
CD1 B:LEU26 4.2 31.1 1.0
CB B:TYR23 4.4 33.2 1.0
CA B:TYR23 4.5 36.3 1.0
CD1 B:TYR23 4.7 49.0 1.0
N B:TYR23 4.7 39.5 1.0
CG A:LEU26 4.7 44.9 1.0
O B:ILE19 4.9 40.3 1.0

Mercury binding site 6 out of 13 in 6bri

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Mercury binding site 6 out of 13 in the Rhcc with Unreduced and Reduced Mercury Complexes


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 6 of Rhcc with Unreduced and Reduced Mercury Complexes within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg101

b:1.0
occ:0.52
CG B:MET39 2.7 28.7 1.0
I B:IOD103 2.8 39.7 0.5
I B:IOD104 3.0 40.1 0.5
CB B:MET39 3.4 21.5 1.0
I B:IOD105 3.9 0.7 0.5
SD B:MET39 4.1 74.7 1.0
CE B:MET39 4.2 30.2 1.0
CD B:ARG36 4.6 48.4 1.0
O B:ARG36 4.7 29.7 1.0
O B:ASP35 4.7 49.6 1.0
CA B:ARG36 4.8 36.5 1.0
CA B:MET39 4.8 32.5 1.0

Mercury binding site 7 out of 13 in 6bri

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Mercury binding site 7 out of 13 in the Rhcc with Unreduced and Reduced Mercury Complexes


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 7 of Rhcc with Unreduced and Reduced Mercury Complexes within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Hg101

b:57.2
occ:0.56
I D:IOD104 3.2 22.6 0.6
I D:IOD105 3.4 27.2 0.6
I D:IOD103 4.5 87.8 0.6
CB D:ASP35 4.8 35.4 1.0
O D:ASP35 4.8 31.0 1.0

Mercury binding site 8 out of 13 in 6bri

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Mercury binding site 8 out of 13 in the Rhcc with Unreduced and Reduced Mercury Complexes


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 8 of Rhcc with Unreduced and Reduced Mercury Complexes within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Hg107

b:45.5
occ:0.41
HG1 D:HGN107 0.0 45.5 0.4
HG1 D:HGN107 1.9 95.0 0.6
HG2 D:HGN107 3.2 93.5 0.6
HG2 D:HGN107 3.2 75.2 0.4
CB C:ARG33 4.4 28.2 1.0
N C:ALA34 4.4 18.6 1.0
CG2 D:ILE30 4.4 24.2 1.0
CB D:ALA34 4.5 19.3 1.0
CB C:ALA34 4.5 22.0 1.0
CA C:ALA34 4.6 27.4 1.0
O C:ILE30 4.7 21.8 1.0
C C:ARG33 4.7 25.8 1.0
CD1 C:LEU37 4.8 36.4 1.0
CG2 C:ILE30 4.8 11.5 1.0
CD1 D:LEU37 4.9 22.9 1.0

Mercury binding site 9 out of 13 in 6bri

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Mercury binding site 9 out of 13 in the Rhcc with Unreduced and Reduced Mercury Complexes


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 9 of Rhcc with Unreduced and Reduced Mercury Complexes within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Hg107

b:95.0
occ:0.59
HG1 D:HGN107 0.0 95.0 0.6
HG2 D:HGN107 1.5 75.2 0.4
HG1 D:HGN107 1.9 45.5 0.4
HG2 D:HGN107 3.2 93.5 0.6
CD1 D:LEU37 3.2 22.9 1.0
CD1 C:LEU37 4.4 36.4 1.0
CA D:ALA34 4.5 29.1 1.0
CB D:ALA34 4.6 19.3 1.0
CG D:LEU37 4.7 50.0 1.0
CD1 A:LEU37 4.7 33.2 1.0
N D:ALA34 4.7 27.6 1.0
CB A:ALA34 4.9 54.5 1.0

Mercury binding site 10 out of 13 in 6bri

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Mercury binding site 10 out of 13 in the Rhcc with Unreduced and Reduced Mercury Complexes


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 10 of Rhcc with Unreduced and Reduced Mercury Complexes within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Hg107

b:75.2
occ:0.41
HG2 D:HGN107 0.0 75.2 0.4
HG1 D:HGN107 1.5 95.0 0.6
HG2 D:HGN107 3.0 93.5 0.6
HG1 D:HGN107 3.2 45.5 0.4
CD1 D:LEU37 3.3 22.9 1.0
CB A:ALA34 3.5 54.5 1.0
CA A:ALA34 4.1 48.8 1.0
CD1 A:LEU37 4.2 33.2 1.0
N A:ALA34 4.5 50.1 1.0
CG D:LEU37 4.6 50.0 1.0
CB D:ARG33 4.7 37.1 1.0
O A:ILE30 5.0 68.2 1.0

Reference:

M.Mcdougall, K.Mceleney, O.Francisco, B.Trieu, E.K.Ogbomo, G.Tomy, J.Stetefeld. Reductive Power of the Archaea Right-Handed Coiled Coil Nanotube (Rhcc-Nt) and Incorporation of Mercury Clusters Inside Protein Cages. J. Struct. Biol. V. 203 281 2018.
ISSN: ESSN 1095-8657
PubMed: 29879486
DOI: 10.1016/J.JSB.2018.05.013
Page generated: Sun Aug 11 07:05:42 2024

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