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Chlorine in PDB 3hvx: Escherichia Coli Thiol Peroxidase (Tpx) Resolving Cysteine to Serine Mutant (C95S) with An Intermolecular Disulfide Bond

Enzymatic activity of Escherichia Coli Thiol Peroxidase (Tpx) Resolving Cysteine to Serine Mutant (C95S) with An Intermolecular Disulfide Bond

All present enzymatic activity of Escherichia Coli Thiol Peroxidase (Tpx) Resolving Cysteine to Serine Mutant (C95S) with An Intermolecular Disulfide Bond:
1.11.1.15;

Protein crystallography data

The structure of Escherichia Coli Thiol Peroxidase (Tpx) Resolving Cysteine to Serine Mutant (C95S) with An Intermolecular Disulfide Bond, PDB code: 3hvx was solved by A.Hall, B.Sankaran, P.A.Karplus, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 61.66 / 2.12
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 44.719, 123.362, 61.932, 90.00, 103.01, 90.00
R / Rfree (%) 16.2 / 24.8

Chlorine Binding Sites:

Pages:

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

Binding sites:

The binding sites of Chlorine atom in the Escherichia Coli Thiol Peroxidase (Tpx) Resolving Cysteine to Serine Mutant (C95S) with An Intermolecular Disulfide Bond (pdb code 3hvx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 11 binding sites of Chlorine where determined in the Escherichia Coli Thiol Peroxidase (Tpx) Resolving Cysteine to Serine Mutant (C95S) with An Intermolecular Disulfide Bond, PDB code: 3hvx:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 11 in 3hvx

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Chlorine binding site 1 out of 11 in the Escherichia Coli Thiol Peroxidase (Tpx) Resolving Cysteine to Serine Mutant (C95S) with An Intermolecular Disulfide Bond


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Escherichia Coli Thiol Peroxidase (Tpx) Resolving Cysteine to Serine Mutant (C95S) with An Intermolecular Disulfide Bond within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl169

b:32.4
occ:1.00
 O A:HOH213 2.9 9.1 1.0
N A:GLY41 3.2 25.4 1.0
N A:LEU40 3.3 20.1 1.0
CB A:THR39 3.3 25.6 1.0
O A:HOH197 3.4 12.0 1.0
O A:PHE28 3.5 18.7 1.0
CB A:THR27 3.5 22.2 1.0
CB A:LEU40 3.7 20.1 1.0
N A:PHE28 3.7 20.1 1.0
CA A:LEU40 3.8 21.4 1.0
CA A:THR27 3.9 21.7 1.0
C A:LEU40 4.0 22.0 1.0
C A:THR39 4.0 17.1 1.0
CG2 A:THR27 4.0 29.4 1.0
OG1 A:THR39 4.0 29.5 1.0
CA A:THR39 4.1 23.2 1.0
CG2 A:THR39 4.1 20.0 1.0
CA A:GLY41 4.1 22.8 1.0
C A:THR27 4.3 22.3 1.0
C A:PHE28 4.3 18.0 1.0
O A:HOH307 4.6 22.1 1.0
OG1 A:THR27 4.6 26.1 1.0
O A:HOH227 4.6 14.1 1.0
CA A:PHE28 4.7 19.8 1.0
CG A:LEU40 4.9 19.9 1.0
O A:THR39 4.9 25.8 1.0

Chlorine binding site 2 out of 11 in 3hvx

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Chlorine binding site 2 out of 11 in the Escherichia Coli Thiol Peroxidase (Tpx) Resolving Cysteine to Serine Mutant (C95S) with An Intermolecular Disulfide Bond


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Escherichia Coli Thiol Peroxidase (Tpx) Resolving Cysteine to Serine Mutant (C95S) with An Intermolecular Disulfide Bond within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl170

b:35.1
occ:1.00
 N A:ASP151 3.1 26.4 1.0
NE2 A:GLN148 3.5 23.6 1.0
O A:HOH185 3.5 15.3 1.0
CB A:ASP151 3.6 31.6 1.0
O A:HOH356 3.8 30.4 1.0
CA A:VAL150 3.9 17.1 1.0
O A:LEU149 4.0 18.5 1.0
C A:VAL150 4.0 16.8 1.0
CA A:ASP151 4.0 29.0 1.0
CG1 A:VAL150 4.3 17.4 1.0
CD A:GLN148 4.5 23.9 1.0
CG A:GLN148 4.5 22.9 1.0
O A:HOH195 4.7 11.2 1.0
C A:LEU149 4.7 14.1 1.0
CB A:VAL150 4.7 14.6 1.0
O A:HOH233 4.7 16.1 1.0
N A:VAL150 4.8 17.9 1.0

Chlorine binding site 3 out of 11 in 3hvx

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Chlorine binding site 3 out of 11 in the Escherichia Coli Thiol Peroxidase (Tpx) Resolving Cysteine to Serine Mutant (C95S) with An Intermolecular Disulfide Bond


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Escherichia Coli Thiol Peroxidase (Tpx) Resolving Cysteine to Serine Mutant (C95S) with An Intermolecular Disulfide Bond within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl169

b:33.4
occ:1.00
 N B:ASP151 3.1 24.2 1.0
NE2 B:GLN148 3.3 20.2 1.0
O B:HOH645 3.3 32.7 1.0
O B:LEU149 3.7 19.4 1.0
CA B:VAL150 3.7 20.4 1.0
CB B:ASP151 3.8 32.1 1.0
C B:VAL150 3.9 23.3 1.0
O B:HOH319 4.0 18.9 1.0
CA B:ASP151 4.0 27.0 1.0
CD B:GLN148 4.3 16.9 1.0
CG1 B:VAL150 4.3 28.6 1.0
CG B:GLN148 4.4 14.3 1.0
C B:LEU149 4.5 24.0 1.0
O B:HOH599 4.5 31.1 1.0
N B:VAL150 4.6 18.4 1.0
CB B:VAL150 4.7 20.0 1.0
O B:HOH185 4.9 14.3 1.0

Chlorine binding site 4 out of 11 in 3hvx

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Chlorine binding site 4 out of 11 in the Escherichia Coli Thiol Peroxidase (Tpx) Resolving Cysteine to Serine Mutant (C95S) with An Intermolecular Disulfide Bond


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Escherichia Coli Thiol Peroxidase (Tpx) Resolving Cysteine to Serine Mutant (C95S) with An Intermolecular Disulfide Bond within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl170

b:38.9
occ:1.00
 N B:GLY41 3.4 25.8 1.0
CB B:THR27 3.4 28.3 1.0
N B:LEU40 3.4 20.2 1.0
CB B:LEU40 3.7 23.6 1.0
CB B:THR39 3.7 25.3 1.0
CG2 B:THR27 3.7 28.1 1.0
CA B:THR27 3.8 26.9 1.0
O B:PHE28 3.8 30.9 1.0
N B:PHE28 3.8 20.1 1.0
CA B:LEU40 3.9 23.5 1.0
OG1 B:THR39 4.0 26.8 1.0
C B:LEU40 4.1 25.6 1.0
CA B:GLY41 4.3 31.1 1.0
C B:THR39 4.3 23.7 1.0
C B:THR27 4.3 21.0 1.0
CA B:THR39 4.5 27.1 1.0
O B:HOH654 4.6 43.2 1.0
OG1 B:THR27 4.7 28.8 1.0
C B:PHE28 4.7 24.4 1.0
CG2 B:THR39 4.7 30.2 1.0
CG B:LEU40 4.8 20.3 1.0
CA B:PHE28 4.9 25.1 1.0

Chlorine binding site 5 out of 11 in 3hvx

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Chlorine binding site 5 out of 11 in the Escherichia Coli Thiol Peroxidase (Tpx) Resolving Cysteine to Serine Mutant (C95S) with An Intermolecular Disulfide Bond


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Escherichia Coli Thiol Peroxidase (Tpx) Resolving Cysteine to Serine Mutant (C95S) with An Intermolecular Disulfide Bond within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl171

b:36.1
occ:1.00
 O B:HOH336 3.1 20.5 1.0
O B:HOH375 3.1 19.1 1.0
NH2 B:ARG133 3.1 23.0 1.0
NE B:ARG133 3.4 21.0 1.0
O B:HOH246 3.6 20.0 1.0
CZ B:ARG133 3.7 19.0 1.0
CG2 B:VAL60 3.7 42.7 1.0
CD B:PRO157 3.8 25.2 1.0
CA B:GLU156 4.0 29.9 1.0
CG B:GLU156 4.0 37.8 1.0
OH B:TYR159 4.2 26.3 1.0
CE2 B:PHE53 4.3 21.6 1.0
O B:THR155 4.3 26.6 1.0
CB B:GLU156 4.4 34.2 1.0
CD B:ARG133 4.6 20.2 1.0
N B:GLU156 4.6 25.0 1.0
CB B:VAL60 4.7 36.8 1.0
C B:THR155 4.8 30.1 1.0
CG B:PRO157 4.8 27.3 1.0
CG2 B:VAL65 4.8 33.0 1.0
N B:PRO157 4.8 20.7 1.0
CZ B:TYR159 4.9 22.0 1.0
CD B:GLU156 4.9 46.1 1.0
C B:GLU156 5.0 23.6 1.0
CD2 B:PHE53 5.0 19.1 1.0

Chlorine binding site 6 out of 11 in 3hvx

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Chlorine binding site 6 out of 11 in the Escherichia Coli Thiol Peroxidase (Tpx) Resolving Cysteine to Serine Mutant (C95S) with An Intermolecular Disulfide Bond


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Escherichia Coli Thiol Peroxidase (Tpx) Resolving Cysteine to Serine Mutant (C95S) with An Intermolecular Disulfide Bond within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1

b:28.1
occ:1.00
 O C:HOH444 3.2 32.5 1.0
N C:GLY41 3.2 14.9 1.0
O C:HOH329 3.3 26.7 1.0
CB C:THR27 3.5 28.8 1.0
N C:LEU40 3.6 17.1 1.0
CG2 C:THR27 3.7 31.2 1.0
CB C:THR39 3.8 26.3 1.0
O C:PHE28 3.8 17.1 1.0
CB C:LEU40 3.8 16.8 1.0
CA C:GLY41 3.9 24.1 1.0
CA C:THR27 4.0 23.6 1.0
N C:PHE28 4.0 19.4 1.0
CA C:LEU40 4.0 19.7 1.0
C C:LEU40 4.1 18.8 1.0
O C:HOH484 4.1 29.2 1.0
OG1 C:THR39 4.2 23.6 1.0
C C:THR39 4.3 16.8 1.0
CA C:THR39 4.5 20.7 1.0
C C:THR27 4.5 18.9 1.0
O C:HOH257 4.5 20.5 1.0
C C:PHE28 4.7 19.3 1.0
CG2 C:THR39 4.8 25.3 1.0
OG1 C:THR27 4.8 27.0 1.0
CG C:LEU40 4.9 17.4 1.0
CA C:PHE28 5.0 17.3 1.0

Chlorine binding site 7 out of 11 in 3hvx

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Chlorine binding site 7 out of 11 in the Escherichia Coli Thiol Peroxidase (Tpx) Resolving Cysteine to Serine Mutant (C95S) with An Intermolecular Disulfide Bond


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Escherichia Coli Thiol Peroxidase (Tpx) Resolving Cysteine to Serine Mutant (C95S) with An Intermolecular Disulfide Bond within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl169

b:29.8
occ:1.00
 O C:HOH593 3.0 31.6 1.0
OE1 C:GLU156 3.1 51.5 1.0
NH2 C:ARG133 3.1 18.9 1.0
O C:HOH239 3.2 20.5 1.0
O C:HOH216 3.3 18.7 1.0
NE C:ARG133 3.3 22.5 1.0
O C:HOH416 3.5 26.9 1.0
CZ C:ARG133 3.7 22.3 1.0
CD C:PRO157 4.1 20.0 1.0
CD C:GLU156 4.1 47.2 1.0
OH C:TYR159 4.2 22.2 1.0
CA C:GLU156 4.2 32.9 1.0
CG2 C:VAL60 4.3 38.6 1.0
CE2 C:PHE53 4.3 19.1 1.0
O C:THR155 4.3 35.8 1.0
CG C:GLU156 4.4 43.8 1.0
CD C:ARG133 4.5 20.0 1.0
CB C:GLU156 4.7 38.1 1.0
C C:THR155 4.8 34.8 1.0
N C:GLU156 4.8 31.0 1.0
CG2 C:VAL65 4.8 27.0 1.0
CD2 C:PHE53 4.9 13.2 1.0
NH1 C:ARG133 5.0 19.6 1.0

Chlorine binding site 8 out of 11 in 3hvx

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Chlorine binding site 8 out of 11 in the Escherichia Coli Thiol Peroxidase (Tpx) Resolving Cysteine to Serine Mutant (C95S) with An Intermolecular Disulfide Bond


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Escherichia Coli Thiol Peroxidase (Tpx) Resolving Cysteine to Serine Mutant (C95S) with An Intermolecular Disulfide Bond within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl170

b:33.5
occ:1.00
 N C:ASP151 3.3 22.9 1.0
NE2 C:GLN148 3.5 18.2 1.0
O C:HOH408 3.6 31.7 1.0
O C:LEU149 3.9 21.1 1.0
CA C:VAL150 3.9 22.5 1.0
CB C:ASP151 3.9 34.9 1.0
C C:VAL150 4.1 25.2 1.0
CA C:ASP151 4.2 26.2 1.0
CG C:GLN148 4.4 18.5 1.0
CD C:GLN148 4.4 18.9 1.0
CG1 C:VAL150 4.6 17.4 1.0
C C:LEU149 4.7 17.1 1.0
O C:HOH182 4.7 12.4 1.0
N C:VAL150 4.7 23.3 1.0
CB C:VAL150 4.8 24.4 1.0
O C:HOH538 4.9 31.6 1.0
O C:HOH242 4.9 17.4 1.0

Chlorine binding site 9 out of 11 in 3hvx

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Chlorine binding site 9 out of 11 in the Escherichia Coli Thiol Peroxidase (Tpx) Resolving Cysteine to Serine Mutant (C95S) with An Intermolecular Disulfide Bond


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Escherichia Coli Thiol Peroxidase (Tpx) Resolving Cysteine to Serine Mutant (C95S) with An Intermolecular Disulfide Bond within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl169

b:35.7
occ:1.00
 N D:GLY41 3.2 23.5 1.0
N D:LEU40 3.3 19.9 1.0
CB D:THR27 3.5 29.3 1.0
CB D:THR39 3.5 27.8 1.0
O D:PHE28 3.5 20.8 1.0
CB D:LEU40 3.6 22.9 1.0
N D:PHE28 3.7 18.4 1.0
CA D:THR27 3.8 23.1 1.0
CA D:LEU40 3.8 22.6 1.0
OG1 D:THR39 3.9 27.6 1.0
CG2 D:THR27 3.9 35.3 1.0
C D:LEU40 4.0 25.4 1.0
C D:THR39 4.1 26.0 1.0
CA D:GLY41 4.1 19.6 1.0
CA D:THR39 4.2 24.2 1.0
C D:THR27 4.2 21.3 1.0
C D:PHE28 4.5 20.3 1.0
CG2 D:THR39 4.5 25.9 1.0
O D:HOH493 4.5 31.1 1.0
OG1 D:THR27 4.6 29.3 1.0
CA D:PHE28 4.7 21.6 1.0
CG D:LEU40 4.7 25.3 1.0

Chlorine binding site 10 out of 11 in 3hvx

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Chlorine binding site 10 out of 11 in the Escherichia Coli Thiol Peroxidase (Tpx) Resolving Cysteine to Serine Mutant (C95S) with An Intermolecular Disulfide Bond


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Escherichia Coli Thiol Peroxidase (Tpx) Resolving Cysteine to Serine Mutant (C95S) with An Intermolecular Disulfide Bond within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl170

b:44.0
occ:1.00
 N D:THR154 3.1 35.7 1.0
N D:ILE153 3.4 36.7 1.0
OG1 D:THR154 3.5 47.3 1.0
CB D:THR154 3.6 43.8 1.0
C D:GLU152 3.7 38.8 1.0
N D:GLN8 3.7 49.9 1.0
CB D:GLU152 3.8 41.7 1.0
CA D:THR154 3.9 38.1 1.0
O D:HIS6 3.9 29.9 1.0
CA D:GLU152 3.9 40.1 1.0
C D:ILE153 4.1 34.0 1.0
CA D:ILE153 4.1 34.9 1.0
CA D:PHE7 4.2 39.3 1.0
O D:GLU152 4.3 40.9 1.0
CD1 D:PHE7 4.4 42.5 1.0
C D:PHE7 4.5 44.4 1.0
O D:HOH534 4.6 23.8 1.0
CA D:GLN8 4.6 54.3 1.0
CB D:ILE153 4.6 36.9 1.0
C D:THR154 4.6 38.1 1.0
CG2 D:THR155 4.6 37.1 1.0
C D:HIS6 4.6 35.3 1.0
CG D:GLU152 4.7 50.0 1.0
N D:THR155 4.7 37.6 1.0
OE1 D:GLU152 4.8 66.4 1.0
N D:PHE7 4.9 35.5 1.0
CG2 D:ILE153 4.9 35.3 1.0
CE1 D:PHE7 5.0 45.6 1.0

Reference:

A.Hall, B.Sankaran, L.B.Poole, P.A.Karplus. Structural Changes Common to Catalysis in the Tpx Peroxiredoxin Subfamily. J.Mol.Biol. V. 393 867 2009.
ISSN: ISSN 0022-2836
PubMed: 19699750
DOI: 10.1016/J.JMB.2009.08.040
Page generated: Sat Dec 12 09:46:33 2020

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