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Chlorine 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:

Mercury (Hg) 7 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Mercury-Modified Bacterial Persistence Regulator Hipba (pdb code 2wiu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the Mercury-Modified Bacterial Persistence Regulator Hipba, PDB code: 2wiu:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 2wiu

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Chlorine binding site 1 out of 10 in the Mercury-Modified Bacterial Persistence Regulator Hipba


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mercury-Modified Bacterial Persistence Regulator Hipba within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1440

b:68.4
occ:1.00
 NZ A:LYS363 3.6 63.7 1.0
CB A:ALA365 3.7 47.0 1.0
N A:ALA365 3.7 50.8 1.0
N A:THR364 3.9 46.9 1.0
CG A:LYS363 4.2 54.3 1.0
OG1 A:THR364 4.3 54.1 1.0
CD A:LYS368 4.3 76.3 1.0
CA A:ALA365 4.3 45.7 1.0
CA A:LYS363 4.4 52.7 1.0
CE A:LYS363 4.5 65.8 1.0
C A:LYS363 4.6 52.9 1.0
C A:THR364 4.6 46.8 1.0
O A:LYS362 4.7 58.1 1.0
CA A:THR364 4.7 46.9 1.0
CD A:LYS363 4.7 69.1 1.0
NZ A:LYS368 4.9 92.7 1.0
CB A:LYS363 4.9 51.4 1.0

Chlorine binding site 2 out of 10 in 2wiu

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Chlorine binding site 2 out of 10 in the Mercury-Modified Bacterial Persistence Regulator Hipba


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Mercury-Modified Bacterial Persistence Regulator Hipba within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1441

b:70.5
occ:1.00
 NE2 A:HIS373 3.6 62.5 1.0
NH1 A:ARG372 3.7 45.8 1.0
CB A:SER359 3.9 0.6 1.0
CE A:LYS363 4.0 65.8 1.0
N A:SER359 4.0 0.0 1.0
NE A:ARG372 4.1 48.6 1.0
CD A:LYS363 4.3 69.1 1.0
CZ A:ARG372 4.4 54.1 1.0
CD2 A:HIS373 4.4 56.9 1.0
NZ A:LYS363 4.5 63.7 1.0
CE1 A:HIS373 4.5 54.3 1.0
CA A:SER359 4.6 0.9 1.0
C A:ALA358 4.6 0.9 1.0

Chlorine binding site 3 out of 10 in 2wiu

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Chlorine binding site 3 out of 10 in the Mercury-Modified Bacterial Persistence Regulator Hipba


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Mercury-Modified Bacterial Persistence Regulator Hipba within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1442

b:58.0
occ:1.00
 N A:GLY274 3.2 38.8 1.0
CA A:GLY274 3.6 27.8 1.0
N A:ARG277 3.7 37.7 1.0
NH2 A:ARG277 3.8 74.7 1.0
C A:GLY274 3.9 36.0 1.0
CB A:ARG277 3.9 42.0 1.0
CB A:ALA276 4.1 37.9 1.0
N A:ALA276 4.1 36.3 1.0
NE A:ARG277 4.2 84.4 1.0
O A:GLY274 4.2 38.0 1.0
CZ A:ARG277 4.3 75.0 1.0
N A:ILE275 4.4 32.6 1.0
CA A:ARG277 4.4 47.2 1.0
C A:PRO273 4.4 40.2 1.0
CA A:ALA276 4.5 40.5 1.0
C A:ALA276 4.6 36.8 1.0
O A:HOH2063 4.7 47.6 1.0
CA A:PRO273 4.8 40.5 1.0
OE2 A:GLU268 4.9 83.8 1.0

Chlorine binding site 4 out of 10 in 2wiu

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Chlorine binding site 4 out of 10 in the Mercury-Modified Bacterial Persistence Regulator Hipba


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Mercury-Modified Bacterial Persistence Regulator Hipba within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1088

b:53.5
occ:1.00
 NH1 B:ARG21 3.8 42.0 1.0
NE2 B:GLN22 3.8 32.1 1.0
NH2 B:ARG21 4.0 42.6 1.0
CG B:GLN22 4.3 35.3 1.0
CZ B:ARG21 4.4 50.1 1.0
CD B:GLN22 4.5 40.4 1.0

Chlorine binding site 5 out of 10 in 2wiu

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Chlorine binding site 5 out of 10 in the Mercury-Modified Bacterial Persistence Regulator Hipba


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Mercury-Modified Bacterial Persistence Regulator Hipba within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1089

b:73.4
occ:1.00
 HG B:HG1087 3.2 77.7 0.7
CB B:CYS71 3.8 40.2 1.0
CA B:CYS71 4.1 43.0 1.0
N B:ASP72 4.1 52.8 1.0
C B:CYS71 4.7 42.9 1.0
SG B:CYS71 4.7 58.8 1.0
O B:LEU70 4.9 33.5 1.0
NZ B:LYS6 5.0 75.0 1.0
CA B:ASP72 5.0 61.5 1.0

Chlorine binding site 6 out of 10 in 2wiu

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Chlorine binding site 6 out of 10 in the Mercury-Modified Bacterial Persistence Regulator Hipba


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Mercury-Modified Bacterial Persistence Regulator Hipba within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1441

b:57.8
occ:1.00
 N C:GLY274 3.2 38.4 1.0
CA C:GLY274 3.5 31.4 1.0
N C:ARG277 3.8 32.8 1.0
C C:GLY274 4.0 38.7 1.0
CG C:ARG277 4.1 57.1 1.0
CB C:ALA276 4.2 35.1 1.0
N C:ALA276 4.4 31.5 1.0
CB C:ARG277 4.4 38.9 1.0
O C:GLY274 4.4 40.7 1.0
C C:PRO273 4.4 37.6 1.0
N C:ILE275 4.5 35.9 1.0
CA C:ALA276 4.5 37.8 1.0
C C:ALA276 4.6 35.8 1.0
CA C:ARG277 4.7 37.9 1.0
CA C:PRO273 4.8 41.4 1.0
CD C:ARG277 4.9 76.5 1.0

Chlorine binding site 7 out of 10 in 2wiu

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Chlorine binding site 7 out of 10 in the Mercury-Modified Bacterial Persistence Regulator Hipba


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Mercury-Modified Bacterial Persistence Regulator Hipba within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1442

b:66.3
occ:1.00
 N C:ALA365 3.7 43.6 1.0
N C:THR364 3.7 37.4 1.0
CB C:ALA365 3.9 32.5 1.0
OG1 C:THR364 3.9 42.4 1.0
NZ C:LYS363 4.0 56.3 1.0
CA C:ALA365 4.4 40.9 1.0
CD C:LYS363 4.4 54.5 1.0
CG C:LYS363 4.5 46.1 1.0
CA C:THR364 4.5 36.4 1.0
CA C:LYS363 4.5 43.1 1.0
CE C:LYS363 4.5 56.7 1.0
CD C:LYS368 4.6 44.4 1.0
C C:LYS363 4.6 39.9 1.0
C C:THR364 4.6 39.4 1.0
O C:LYS362 4.6 58.6 1.0
CB C:THR364 4.8 41.0 1.0
NZ C:LYS368 4.9 55.5 1.0

Chlorine binding site 8 out of 10 in 2wiu

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Chlorine binding site 8 out of 10 in the Mercury-Modified Bacterial Persistence Regulator Hipba


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Mercury-Modified Bacterial Persistence Regulator Hipba within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1443

b:72.5
occ:1.00
 NE2 C:HIS373 3.8 55.5 1.0
NH1 C:ARG372 4.1 61.6 1.0
CE C:LYS363 4.2 56.7 1.0
CD C:LYS363 4.4 54.5 1.0
NZ C:LYS363 4.4 56.3 1.0
CD2 C:HIS373 4.6 47.3 1.0
CE1 C:HIS373 4.7 36.8 1.0

Chlorine binding site 9 out of 10 in 2wiu

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Chlorine binding site 9 out of 10 in the Mercury-Modified Bacterial Persistence Regulator Hipba


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Mercury-Modified Bacterial Persistence Regulator Hipba within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1088

b:66.9
occ:1.00
 HG D:HG1087 3.0 69.6 0.6
CB D:CYS71 3.3 46.9 1.0
CA D:CYS71 3.8 46.0 1.0
N D:ASP72 4.1 59.2 1.0
SG D:CYS71 4.1 56.6 1.0
C D:CYS71 4.4 48.5 1.0
C D:ASP72 4.8 69.5 1.0
CA D:ASP72 4.8 66.4 1.0
CE D:LYS6 4.9 52.0 1.0
N D:CYS71 5.0 37.8 1.0

Chlorine binding site 10 out of 10 in 2wiu

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Chlorine binding site 10 out of 10 in the Mercury-Modified Bacterial Persistence Regulator Hipba


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Mercury-Modified Bacterial Persistence Regulator Hipba within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1089

b:63.7
occ:1.00
 NE2 D:GLN22 3.7 31.2 1.0
NH2 D:ARG21 3.8 45.7 1.0
O D:HOH2009 3.9 57.0 1.0
NH1 D:ARG21 3.9 44.4 1.0
CZ D:ARG21 4.4 52.4 1.0
O C:HOH2025 4.5 58.1 1.0
CD D:GLN22 4.7 41.4 1.0
CG D:GLN22 4.8 36.6 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: Sat Jul 20 12:57:05 2024

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