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Mercury in PDB 4q79: Structure of A Hg-Derivative Csgg

Protein crystallography data

The structure of Structure of A Hg-Derivative Csgg, PDB code: 4q79 was solved by Y.Huang, C.X.Zhang, B.Cao, Y.Zhao, Y.Kou, D.Ni, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.25 / 3.10
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 171.640, 176.880, 104.990, 90.00, 90.00, 90.00
R / Rfree (%) 23.6 / 27.8

Mercury Binding Sites:

The binding sites of Mercury atom in the Structure of A Hg-Derivative Csgg (pdb code 4q79). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 9 binding sites of Mercury where determined in the Structure of A Hg-Derivative Csgg, PDB code: 4q79:
Jump to Mercury binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Mercury binding site 1 out of 9 in 4q79

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Mercury binding site 1 out of 9 in the Structure of A Hg-Derivative Csgg


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Structure of A Hg-Derivative Csgg within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Hg501

b:0.9
occ:0.63
 SG D:CYS230 2.7 0.1 1.0
CB D:CYS230 3.0 81.3 1.0
CA D:CYS230 3.1 81.0 1.0
N D:CYS230 4.0 75.6 1.0
O D:THR195 4.1 80.5 1.0
C D:CYS230 4.2 84.5 1.0
O D:CYS230 4.2 83.4 1.0
CB D:SER233 4.7 93.3 1.0
C D:LEU229 4.7 76.0 1.0
O D:LEU229 4.8 76.3 1.0

Mercury binding site 2 out of 9 in 4q79

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Mercury binding site 2 out of 9 in the Structure of A Hg-Derivative Csgg


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Structure of A Hg-Derivative Csgg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg501

b:0.5
occ:0.66
 SG A:CYS230 2.5 73.6 1.0
CA A:CYS230 3.2 68.3 1.0
CB A:CYS230 3.3 62.6 1.0
N A:CYS230 3.5 77.9 1.0
C A:LEU229 4.2 82.1 1.0
O A:THR195 4.4 81.3 1.0
O A:LEU229 4.6 85.5 1.0
C A:CYS230 4.6 68.6 1.0
CB A:SER233 4.6 77.2 1.0
CB A:LEU229 4.8 82.8 1.0
O A:CYS230 4.9 71.0 1.0

Mercury binding site 3 out of 9 in 4q79

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Mercury binding site 3 out of 9 in the Structure of A Hg-Derivative Csgg


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Structure of A Hg-Derivative Csgg within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg501

b:0.0
occ:0.87
 SG B:CYS230 2.5 93.5 1.0
CB B:CYS230 2.7 61.4 1.0
CA B:CYS230 3.3 62.3 1.0
O B:THR195 3.8 71.6 1.0
N B:CYS230 4.2 64.2 1.0
C B:CYS230 4.5 59.5 1.0
O B:CYS230 4.6 60.3 1.0
CB B:SER233 4.6 83.0 1.0
CG1 B:ILE196 4.9 53.1 1.0
C B:THR195 4.9 68.8 1.0
OG B:SER233 4.9 86.3 1.0
CB B:GLU225 4.9 63.3 1.0

Mercury binding site 4 out of 9 in 4q79

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Mercury binding site 4 out of 9 in the Structure of A Hg-Derivative Csgg


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Structure of A Hg-Derivative Csgg within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Hg501

b:0.1
occ:1.00
 SG C:CYS230 2.7 0.9 1.0
N C:CYS230 3.3 60.2 1.0
CA C:CYS230 3.6 62.2 1.0
CB C:CYS230 3.7 61.6 1.0
CB C:LEU229 4.0 47.2 1.0
C C:LEU229 4.0 56.9 1.0
CB C:GLU225 4.2 54.6 1.0
O C:PRO226 4.4 48.7 1.0
CA C:LEU229 4.5 56.5 1.0
O C:LEU229 4.6 52.5 1.0
CD C:PRO226 4.8 61.4 1.0
N C:PRO226 4.8 55.5 1.0
C C:PRO226 4.9 49.8 1.0
C C:GLU225 4.9 57.0 1.0

Mercury binding site 5 out of 9 in 4q79

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Mercury binding site 5 out of 9 in the Structure of A Hg-Derivative Csgg


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 5 of Structure of A Hg-Derivative Csgg within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Hg501

b:0.8
occ:0.97
 SG E:CYS230 2.6 0.1 1.0
CB E:CYS230 3.5 59.9 1.0
CA E:CYS230 3.7 64.1 1.0
N E:CYS230 3.8 67.8 1.0
CB E:GLU225 4.2 89.3 1.0
O E:PRO226 4.4 73.5 1.0
C E:LEU229 4.6 71.4 1.0
CD E:PRO226 4.7 82.4 1.0
CB E:LEU229 4.8 71.2 1.0
O E:THR195 4.9 65.3 1.0
N E:PRO226 4.9 78.7 1.0
C E:PRO226 5.0 70.9 1.0

Mercury binding site 6 out of 9 in 4q79

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Mercury binding site 6 out of 9 in the Structure of A Hg-Derivative Csgg


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 6 of Structure of A Hg-Derivative Csgg within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Hg501

b:0.6
occ:0.74
 SG F:CYS230 2.6 0.0 1.0
CB F:CYS230 2.8 73.8 1.0
CA F:CYS230 3.3 74.4 1.0
O F:THR195 3.4 84.0 1.0
N F:CYS230 4.2 74.6 1.0
CB F:SER233 4.5 81.0 1.0
C F:THR195 4.5 80.1 1.0
C F:CYS230 4.5 69.4 1.0
OG F:SER233 4.6 84.1 1.0
O F:CYS230 4.7 70.1 1.0
CB F:LYS194 4.8 83.0 1.0
CG1 F:ILE196 4.9 58.8 1.0

Mercury binding site 7 out of 9 in 4q79

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Mercury binding site 7 out of 9 in the Structure of A Hg-Derivative Csgg


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 7 of Structure of A Hg-Derivative Csgg within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Hg501

b:0.0
occ:0.95
 SG G:CYS230 2.6 0.8 1.0
CB G:CYS230 2.9 83.6 1.0
CA G:CYS230 3.2 85.2 1.0
N G:CYS230 3.7 90.4 1.0
C G:LEU229 4.3 91.6 1.0
O G:THR195 4.4 64.4 1.0
O G:LEU229 4.5 89.1 1.0
CB G:GLU225 4.6 91.7 1.0
C G:CYS230 4.6 81.1 1.0
O G:PRO226 5.0 91.2 1.0

Mercury binding site 8 out of 9 in 4q79

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Mercury binding site 8 out of 9 in the Structure of A Hg-Derivative Csgg


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 8 of Structure of A Hg-Derivative Csgg within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Hg501

b:1.0
occ:0.89
 SG H:CYS230 2.7 75.7 1.0
CB H:CYS230 3.2 82.8 1.0
N H:CYS230 3.6 86.4 1.0
CA H:CYS230 3.6 81.5 1.0
C H:LEU229 4.2 90.4 1.0
O H:PRO226 4.3 90.0 1.0
CB H:LEU229 4.4 95.2 1.0
CB H:GLU225 4.4 71.8 1.0
CD H:PRO226 4.6 88.7 1.0
O H:LEU229 4.7 91.0 1.0
CA H:LEU229 4.9 92.0 1.0
O H:THR195 4.9 72.2 1.0
N H:PRO226 4.9 81.6 1.0

Mercury binding site 9 out of 9 in 4q79

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Mercury binding site 9 out of 9 in the Structure of A Hg-Derivative Csgg


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 9 of Structure of A Hg-Derivative Csgg within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Hg501

b:0.1
occ:1.00
 SG I:CYS230 2.5 41.8 1.0
CB I:CYS230 2.6 72.7 1.0
CA I:CYS230 3.7 69.6 1.0
O I:THR195 3.9 87.9 1.0
N I:CYS230 4.1 73.0 1.0
CB I:GLU225 4.3 68.2 1.0
CG1 I:ILE196 4.7 77.5 1.0
CA I:ILE196 4.8 72.2 1.0
C I:THR195 5.0 81.4 1.0

Reference:

B.Cao, Y.Zhao, Y.Kou, D.Ni, X.C.Zhang, Y.Huang. Structure of the Nonameric Bacterial Amyloid Secretion Channel Proc.Natl.Acad.Sci.Usa 2014.
ISSN: ESSN 1091-6490
PubMed: 25453093
DOI: 10.1073/PNAS.1411942111
Page generated: Sun Aug 11 05:10:49 2024

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