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Chlorine in PDB 4xts: Salmonella Typhimurium Ahpc T43A Mutant

Enzymatic activity of Salmonella Typhimurium Ahpc T43A Mutant

All present enzymatic activity of Salmonella Typhimurium Ahpc T43A Mutant:
1.11.1.15;

Protein crystallography data

The structure of Salmonella Typhimurium Ahpc T43A Mutant, PDB code: 4xts was solved by A.Perkins, K.Nelson, D.Parsonage, L.Poole, P.A.Karplus, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 63.51 / 2.70
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 107.651, 109.454, 119.037, 93.33, 110.02, 114.00
R / Rfree (%) 19 / 24.5

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 27;

Binding sites:

The binding sites of Chlorine atom in the Salmonella Typhimurium Ahpc T43A Mutant (pdb code 4xts). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 27 binding sites of Chlorine where determined in the Salmonella Typhimurium Ahpc T43A Mutant, PDB code: 4xts:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 27 in 4xts

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Chlorine binding site 1 out of 27 in the Salmonella Typhimurium Ahpc T43A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Salmonella Typhimurium Ahpc T43A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:85.7
occ:1.00
 N A:LEU2 3.8 35.1 1.0
CB B:SER1 3.8 42.9 1.0
CA A:SER1 3.9 47.6 1.0
CA B:SER1 4.0 35.1 1.0
CD1 A:ILE133 4.1 23.5 1.0
CL B:CL201 4.1 71.5 1.0
CG A:LEU2 4.1 31.1 1.0
CD1 A:LEU2 4.2 35.6 1.0
N B:SER1 4.3 31.7 1.0
C A:SER1 4.3 42.3 1.0
CG2 A:ILE133 4.4 23.8 1.0
CE2 A:PHE122 4.4 36.8 1.0
CB A:LEU2 4.5 32.6 1.0
O A:PHE107 4.6 33.4 1.0
N A:SER1 4.6 53.5 1.0
CA A:LEU2 4.8 32.9 1.0
CZ A:PHE122 4.8 35.1 1.0
CB A:SER1 4.8 52.3 1.0
OD2 A:ASP108 4.9 71.6 1.0

Chlorine binding site 2 out of 27 in 4xts

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Chlorine binding site 2 out of 27 in the Salmonella Typhimurium Ahpc T43A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Salmonella Typhimurium Ahpc T43A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:65.8
occ:1.00
 O A:HOH301 2.9 35.0 1.0
NH2 A:ARG105 3.7 45.2 1.0
NH2 F:ARG105 3.9 43.3 1.0
O A:THR100 3.9 42.9 1.0
NH1 A:ARG105 4.1 44.6 1.0
O F:THR100 4.3 38.9 1.0
CZ A:ARG105 4.4 48.3 1.0
CE A:MET110 4.4 55.3 1.0
O A:PRO99 4.5 31.0 1.0
O F:PRO99 4.5 43.1 1.0
C A:THR100 4.5 34.1 1.0
O A:HOH313 4.6 38.2 1.0
NH1 F:ARG105 4.8 36.7 1.0
CZ F:ARG105 4.8 40.4 1.0
C F:THR100 4.9 33.9 1.0
CE F:MET110 5.0 88.7 1.0

Chlorine binding site 3 out of 27 in 4xts

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Chlorine binding site 3 out of 27 in the Salmonella Typhimurium Ahpc T43A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Salmonella Typhimurium Ahpc T43A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl201

b:71.5
occ:1.00
 N B:LEU2 3.3 34.4 1.0
CA B:SER1 3.7 35.1 1.0
N A:SER1 3.7 53.5 1.0
CB B:SER1 3.8 42.9 1.0
CG B:LEU2 3.8 37.3 1.0
CB B:LEU2 3.9 34.2 1.0
C B:SER1 4.0 37.8 1.0
CD1 B:LEU2 4.0 40.7 1.0
CD1 B:ILE133 4.1 32.4 1.0
CL A:CL201 4.1 85.7 1.0
CA A:SER1 4.2 47.6 1.0
CA B:LEU2 4.3 32.0 1.0
CG2 B:ILE133 4.6 33.8 1.0
CE1 B:PHE122 4.7 32.0 1.0
O B:PHE107 4.7 35.8 1.0
CB A:SER1 4.7 52.3 1.0
OG B:SER1 4.9 49.8 1.0

Chlorine binding site 4 out of 27 in 4xts

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Chlorine binding site 4 out of 27 in the Salmonella Typhimurium Ahpc T43A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Salmonella Typhimurium Ahpc T43A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl201

b:71.3
occ:1.00
 O C:HOH311 2.9 35.3 1.0
N C:LEU2 3.3 36.0 1.0
CA C:SER1 3.7 45.2 1.0
CD1 C:ILE133 3.8 22.4 1.0
CG C:LEU2 3.9 40.8 1.0
C C:SER1 3.9 40.2 1.0
CB C:LEU2 4.0 37.7 1.0
CD1 C:LEU2 4.1 40.0 1.0
CA C:LEU2 4.3 33.9 1.0
CE2 C:PHE122 4.3 25.4 1.0
N C:SER1 4.4 47.4 1.0
CL D:CL201 4.5 67.9 1.0
CB D:SER1 4.5 44.5 1.0
O C:PHE107 4.5 27.2 1.0
CG2 C:ILE133 4.6 22.7 1.0
CA D:SER1 4.6 46.9 1.0
N D:SER1 4.7 51.9 1.0
CZ C:PHE122 4.7 28.7 1.0
CB C:SER1 4.7 46.1 1.0
CG1 C:ILE133 4.9 26.1 1.0

Chlorine binding site 5 out of 27 in 4xts

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Chlorine binding site 5 out of 27 in the Salmonella Typhimurium Ahpc T43A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Salmonella Typhimurium Ahpc T43A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl202

b:73.8
occ:1.00
 O B:HOH305 3.2 34.1 1.0
NH2 C:ARG105 3.5 43.7 1.0
NH2 B:ARG105 3.9 28.3 1.0
O C:THR100 4.1 37.0 1.0
NH1 C:ARG105 4.2 50.9 1.0
CZ C:ARG105 4.3 49.8 1.0
O B:THR100 4.3 37.9 1.0
O C:HOH322 4.4 39.1 1.0
NH1 B:ARG105 4.6 39.5 1.0
O B:PRO99 4.6 47.2 1.0
O C:PRO99 4.7 34.4 1.0
C C:THR100 4.7 32.8 1.0
CZ B:ARG105 4.7 39.1 1.0
C B:THR100 4.9 41.1 1.0

Chlorine binding site 6 out of 27 in 4xts

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Chlorine binding site 6 out of 27 in the Salmonella Typhimurium Ahpc T43A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Salmonella Typhimurium Ahpc T43A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl201

b:67.9
occ:1.00
 N D:LEU2 3.6 33.4 1.0
CB D:SER1 3.8 44.5 1.0
CA D:SER1 3.8 46.9 1.0
N C:SER1 3.8 47.4 1.0
CG D:LEU2 3.9 22.3 1.0
O C:HOH311 4.1 35.3 1.0
CD1 D:LEU2 4.1 23.8 1.0
CD1 D:ILE133 4.2 28.0 1.0
C D:SER1 4.2 42.9 1.0
CB D:LEU2 4.2 22.4 1.0
CA C:SER1 4.3 45.2 1.0
CL C:CL201 4.5 71.3 1.0
CE2 D:PHE122 4.5 22.6 1.0
CG2 D:ILE133 4.5 22.8 1.0
CA D:LEU2 4.6 24.6 1.0
CB C:SER1 4.7 46.1 1.0
CZ D:PHE122 4.8 23.6 1.0
O D:PHE107 4.8 36.1 1.0
OG D:SER1 4.8 41.8 1.0

Chlorine binding site 7 out of 27 in 4xts

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Chlorine binding site 7 out of 27 in the Salmonella Typhimurium Ahpc T43A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Salmonella Typhimurium Ahpc T43A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl201

b:75.6
occ:1.00
 O E:HOH314 2.9 67.9 1.0
N E:LEU2 3.8 31.0 1.0
O E:PHE107 3.9 36.5 1.0
CG E:LEU2 4.0 22.0 1.0
N J:SER1 4.0 24.8 1.0
CD1 E:LEU2 4.0 21.4 1.0
CA J:SER1 4.2 27.7 1.0
CE1 E:PHE122 4.2 29.5 1.0
CB J:SER1 4.2 32.1 1.0
CB E:LEU2 4.2 23.6 1.0
CZ E:PHE122 4.2 30.2 1.0
CD1 E:ILE133 4.3 21.8 1.0
CA E:SER1 4.4 28.4 1.0
CB E:ASP108 4.5 56.2 1.0
CB E:SER1 4.6 25.0 1.0
C E:SER1 4.6 35.2 1.0
OD2 E:ASP108 4.6 75.9 1.0
CA E:LEU2 4.7 25.7 1.0
O E:ASP108 4.7 37.9 1.0
CG2 E:ILE133 4.8 22.0 1.0
C E:PHE107 4.9 34.3 1.0
O J:HOH310 4.9 39.6 1.0

Chlorine binding site 8 out of 27 in 4xts

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Chlorine binding site 8 out of 27 in the Salmonella Typhimurium Ahpc T43A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Salmonella Typhimurium Ahpc T43A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl201

b:68.6
occ:1.00
 N F:LEU2 3.0 31.4 1.0
CA F:SER1 3.4 35.1 1.0
CB F:SER1 3.5 34.1 1.0
C F:SER1 3.7 35.4 1.0
CD1 F:ILE133 3.8 21.8 1.0
CG F:LEU2 3.8 28.4 1.0
CB F:LEU2 3.9 27.5 1.0
CD1 F:LEU2 4.0 32.8 1.0
CA F:LEU2 4.0 29.7 1.0
CL G:CL201 4.5 68.0 1.0
CE2 F:PHE122 4.6 26.6 1.0
N G:SER1 4.6 39.2 1.0
OG F:SER1 4.7 36.1 1.0
CG2 F:ILE133 4.7 22.1 1.0
N F:SER1 4.7 38.4 1.0
O F:PHE107 4.8 38.1 1.0
CA G:SER1 4.9 40.0 1.0
O F:SER1 4.9 32.5 1.0

Chlorine binding site 9 out of 27 in 4xts

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Chlorine binding site 9 out of 27 in the Salmonella Typhimurium Ahpc T43A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Salmonella Typhimurium Ahpc T43A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl201

b:68.0
occ:1.00
 N G:LEU2 3.4 38.3 1.0
CA G:SER1 3.9 40.0 1.0
CG G:LEU2 3.9 29.1 1.0
CD1 G:ILE133 4.0 21.8 1.0
CD1 G:LEU2 4.1 37.6 1.0
C G:SER1 4.1 42.0 1.0
CB G:LEU2 4.2 21.5 1.0
CB F:SER1 4.3 34.1 1.0
CA G:LEU2 4.4 30.1 1.0
CE2 G:PHE122 4.4 21.6 1.0
CA F:SER1 4.5 35.1 1.0
CL F:CL201 4.5 68.6 1.0
N F:SER1 4.6 38.4 1.0
O G:PHE107 4.6 42.9 1.0
N G:SER1 4.6 39.2 1.0
CG2 G:ILE133 4.8 21.9 1.0
CZ G:PHE122 4.8 28.6 1.0
CB G:SER1 4.9 47.1 1.0
OD2 G:ASP108 4.9 56.6 1.0
OG G:SER1 5.0 50.1 1.0
CB G:ASP108 5.0 43.2 1.0

Chlorine binding site 10 out of 27 in 4xts

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Chlorine binding site 10 out of 27 in the Salmonella Typhimurium Ahpc T43A Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Salmonella Typhimurium Ahpc T43A Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl201

b:74.2
occ:1.00
 O I:HOH306 3.0 31.3 1.0
O H:HOH307 3.1 46.1 1.0
N H:LEU2 3.4 20.6 1.0
CB H:SER1 3.7 31.9 1.0
CA H:SER1 3.7 25.6 1.0
CD1 H:ILE133 3.8 22.7 1.0
C H:SER1 4.0 25.1 1.0
O I:HOH301 4.2 33.1 1.0
CB I:SER1 4.2 44.9 1.0
CG2 H:ILE133 4.2 20.7 1.0
CA I:SER1 4.2 44.1 1.0
CG H:LEU2 4.2 23.4 1.0
CB H:LEU2 4.3 20.5 1.0
CL I:CL201 4.4 61.2 1.0
N I:SER1 4.4 46.6 1.0
CD1 H:LEU2 4.4 20.5 1.0
CA H:LEU2 4.4 20.6 1.0
CE2 H:PHE122 4.4 23.2 1.0
CZ H:PHE122 4.8 20.6 1.0
OG H:SER1 4.8 33.5 1.0
CG1 H:ILE133 4.9 20.8 1.0
N H:SER1 5.0 28.1 1.0
O H:PHE107 5.0 29.3 1.0

Reference:

K.J.Nelson, A.Perkins, A.E.D.Van Swearingen, S.Hartman, A.E.Brereton, D.Parsonage, F.R.Salsbury Jr., P.A.Karplus, L.B.Poole. Experimentally Dissecting the Origins of Peroxiredoxin Catalysis. Antioxid.Redox Signal. V. 28 521 2018.
ISSN: ESSN 1557-7716
PubMed: 28375740
DOI: 10.1089/ARS.2016.6922
Page generated: Fri Jul 26 03:41:34 2024

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