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Mercury in PDB 2wiu: Mercury-Modified Bacterial Persistence Regulator Hipba

Enzymatic activity of Mercury-Modified Bacterial Persistence Regulator Hipba

All present enzymatic activity of Mercury-Modified Bacterial Persistence Regulator Hipba:
2.7.11.1;

Protein crystallography data

The structure of Mercury-Modified Bacterial Persistence Regulator Hipba, PDB code: 2wiu was solved by A.Evdokimov, I.Voznesensky, K.Fennell, M.Anderson, J.F.Smith, D.A.Fisher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 166.67 / 2.35
Space group P 42 2 2
Cell size a, b, c (Å), α, β, γ (°) 166.933, 166.933, 124.577, 90.00, 90.00, 90.00
R / Rfree (%) 21.599 / 26.389

Other elements in 2wiu:

The structure of Mercury-Modified Bacterial Persistence Regulator Hipba also contains other interesting chemical elements:

Chlorine (Cl) 10 atoms

Mercury Binding Sites:

The binding sites of Mercury atom in the Mercury-Modified Bacterial Persistence Regulator Hipba (pdb code 2wiu). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 7 binding sites of Mercury where determined in the Mercury-Modified Bacterial Persistence Regulator Hipba, PDB code: 2wiu:
Jump to Mercury binding site number: 1; 2; 3; 4; 5; 6; 7;

Mercury binding site 1 out of 7 in 2wiu

Go back to Mercury Binding Sites List in 2wiu
Mercury binding site 1 out of 7 in the Mercury-Modified Bacterial Persistence Regulator Hipba


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Mercury-Modified Bacterial Persistence Regulator Hipba within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg1438

b:78.3
occ:0.80
SG A:CYS168 2.3 63.7 1.0
CB A:CYS168 3.4 57.1 1.0
CB A:TRP117 3.7 77.2 1.0
CA A:TRP117 3.9 80.9 1.0
CD2 A:LEU161 4.0 50.2 1.0
N A:GLU118 4.2 74.9 1.0
CG A:LEU161 4.3 45.1 1.0
C A:TRP117 4.5 79.7 1.0
CA A:CYS168 4.6 56.9 1.0
N A:CYS168 4.7 54.2 1.0
O A:LEU161 4.7 57.3 1.0
N A:ILE163 4.9 63.7 1.0
CD1 A:ILE163 5.0 71.0 1.0

Mercury binding site 2 out of 7 in 2wiu

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Mercury binding site 2 out of 7 in the Mercury-Modified Bacterial Persistence Regulator Hipba


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Mercury-Modified Bacterial Persistence Regulator Hipba within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg1439

b:45.9
occ:0.70
SG A:CYS256 2.2 48.5 1.0
O A:PRO262 2.8 50.4 1.0
CA A:LYS266 3.3 78.9 1.0
CB A:CYS256 3.4 40.1 1.0
N A:LYS266 3.7 82.8 1.0
CA A:CYS256 3.8 39.1 1.0
O A:SER263 3.9 67.2 1.0
C A:PRO262 4.0 46.4 1.0
CB A:LYS266 4.0 69.0 1.0
CB A:LEU261 4.1 34.4 1.0
C A:LYS266 4.3 79.0 1.0
O A:LYS266 4.3 68.0 1.0
CD A:PRO273 4.4 44.1 1.0
C A:VAL265 4.4 84.6 1.0
C A:SER263 4.4 64.9 1.0
CA A:SER263 4.4 57.3 1.0
CB A:ALA312 4.5 24.6 1.0
N A:SER263 4.6 46.5 1.0
N A:CYS256 4.7 38.3 1.0
CD1 A:LEU261 4.7 41.5 1.0
C A:LEU261 4.7 32.9 1.0
O A:LEU261 4.8 39.5 1.0
CB A:VAL265 4.8 80.4 1.0
CG A:LYS266 4.9 75.3 1.0
N A:VAL265 4.9 81.9 1.0
O A:VAL265 4.9 87.8 1.0
C A:CYS256 5.0 38.7 1.0

Mercury binding site 3 out of 7 in 2wiu

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Mercury binding site 3 out of 7 in the Mercury-Modified Bacterial Persistence Regulator Hipba


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Mercury-Modified Bacterial Persistence Regulator Hipba within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg1087

b:77.7
occ:0.70
SG B:CYS71 2.7 58.8 1.0
CL B:CL1089 3.2 73.4 1.0
CB B:CYS71 3.3 40.2 1.0
O B:LEU70 3.5 33.5 1.0
CG2 B:THR69 3.7 39.1 1.0
CA B:CYS71 3.7 43.0 1.0
CG2 D:THR69 4.0 41.4 1.0
C B:LEU70 4.1 38.6 1.0
N B:CYS71 4.2 37.5 1.0
CB D:THR69 4.7 43.3 1.0
CB B:THR69 4.9 37.0 1.0
OG1 B:THR69 4.9 53.9 1.0

Mercury binding site 4 out of 7 in 2wiu

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Mercury binding site 4 out of 7 in the Mercury-Modified Bacterial Persistence Regulator Hipba


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Mercury-Modified Bacterial Persistence Regulator Hipba within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Hg1438

b:78.8
occ:0.65
SG C:CYS168 2.5 67.8 0.5
SG C:CYS168 3.2 60.2 0.5
O C:ASP166 3.7 90.4 1.0
CB C:CYS168 3.8 78.4 0.5
CA C:ARG162 4.0 80.2 1.0
O C:LEU161 4.1 69.7 1.0
CB C:CYS168 4.3 77.7 0.5
N C:ILE163 4.4 96.2 1.0
HG C:HG1439 4.4 55.6 0.3
C C:ASP166 4.6 91.8 1.0
C C:LEU161 4.6 69.1 1.0
N C:ARG162 4.6 76.5 1.0
CB C:ARG162 4.6 74.3 1.0
N C:CYS168 4.7 74.0 1.0
N C:GLY164 4.7 0.2 1.0
C C:TRP167 4.7 74.6 1.0
C C:ARG162 4.8 87.7 1.0
CB C:ASP166 4.8 99.0 1.0
O C:TRP167 4.8 83.2 1.0
CA C:CYS168 4.9 75.5 0.5

Mercury binding site 5 out of 7 in 2wiu

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Mercury binding site 5 out of 7 in the Mercury-Modified Bacterial Persistence Regulator Hipba


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 5 of Mercury-Modified Bacterial Persistence Regulator Hipba within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Hg1439

b:55.6
occ:0.30
SG C:CYS168 2.8 60.2 0.5
CB C:CYS168 3.8 78.4 0.5
CB C:CYS168 3.9 77.7 0.5
SG C:CYS168 4.2 67.8 0.5
HG C:HG1438 4.4 78.8 0.7

Mercury binding site 6 out of 7 in 2wiu

Go back to Mercury Binding Sites List in 2wiu
Mercury binding site 6 out of 7 in the Mercury-Modified Bacterial Persistence Regulator Hipba


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 6 of Mercury-Modified Bacterial Persistence Regulator Hipba within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Hg1440

b:40.8
occ:0.65
SG C:CYS256 2.0 27.5 0.7
CB C:CYS256 3.3 34.4 0.3
CB C:CYS256 3.3 35.1 0.7
CA C:CYS256 3.8 34.0 0.3
CA C:CYS256 3.8 35.9 0.7
C C:PRO262 3.9 37.7 1.0
CB C:LEU261 4.0 38.8 1.0
SG C:CYS256 4.2 18.5 0.3
O C:PRO262 4.3 34.5 1.0
CD C:PRO273 4.3 41.1 1.0
CB C:ALA312 4.4 30.2 1.0
CD1 C:LEU261 4.4 44.9 1.0
N C:CYS256 4.6 35.5 1.0
CG C:LEU261 4.8 41.3 1.0
C C:LEU261 4.9 31.1 1.0
CA C:GLY272 4.9 46.9 1.0

Mercury binding site 7 out of 7 in 2wiu

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Mercury binding site 7 out of 7 in the Mercury-Modified Bacterial Persistence Regulator Hipba


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 7 of Mercury-Modified Bacterial Persistence Regulator Hipba within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Hg1087

b:69.6
occ:0.60
SG D:CYS71 2.5 56.6 1.0
CL D:CL1088 3.0 66.9 1.0
CB D:CYS71 3.1 46.9 1.0
CG2 D:THR69 3.6 41.4 1.0
CA D:CYS71 3.6 46.0 1.0
O D:LEU70 3.7 45.7 1.0
N D:CYS71 4.0 37.8 1.0
CG2 B:THR69 4.1 39.1 1.0
C D:LEU70 4.1 38.6 1.0
CB B:THR69 4.7 37.0 1.0
CB D:THR69 4.9 43.3 1.0
OG1 D:THR69 5.0 48.9 1.0

Reference:

A.Evdokimov, I.Voznesensky, K.Fennell, M.Anderson, J.F.Smith, D.A.Fisher. New Kinase Regulation Mechanism Found in Hipba: A Bacterial Persistence Switch. Acta Crystallogr.,Sect.D V. 65 875 2009.
ISSN: ISSN 0907-4449
PubMed: 19622872
DOI: 10.1107/S0907444909018800
Page generated: Sun Dec 13 19:08:30 2020

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