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Chlorine in PDB 5uka: Salmonella Typhimurium Ahpc E49Q Mutant

Enzymatic activity of Salmonella Typhimurium Ahpc E49Q Mutant

All present enzymatic activity of Salmonella Typhimurium Ahpc E49Q Mutant:
1.11.1.15;

Protein crystallography data

The structure of Salmonella Typhimurium Ahpc E49Q Mutant, PDB code: 5uka 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) 27.26 / 1.90
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 126.902, 171.950, 135.766, 90.00, 90.00, 90.00
R / Rfree (%) 17.5 / 21

Other elements in 5uka:

The structure of Salmonella Typhimurium Ahpc E49Q Mutant also contains other interesting chemical elements:

Potassium (K) 3 atoms
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Salmonella Typhimurium Ahpc E49Q Mutant (pdb code 5uka). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Salmonella Typhimurium Ahpc E49Q Mutant, PDB code: 5uka:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 5uka

Go back to Chlorine Binding Sites List in 5uka
Chlorine binding site 1 out of 5 in the Salmonella Typhimurium Ahpc E49Q 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 E49Q Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:42.7
occ:1.00
H A:LEU2 2.4 31.5 1.0
HB2 A:SER1 2.8 39.8 1.0
HD13 A:ILE133 2.9 35.5 1.0
O A:HOH331 2.9 39.3 1.0
O A:HOH425 3.0 38.4 1.0
HA A:SER1 3.0 36.8 1.0
O A:HOH335 3.0 37.5 1.0
N A:LEU2 3.2 26.2 1.0
HG A:LEU2 3.2 42.5 1.0
HB2 A:LEU2 3.3 33.7 1.0
HD12 A:LEU2 3.4 41.4 1.0
HG21 A:ILE133 3.4 30.1 1.0
HE2 A:PHE122 3.5 42.1 1.0
CA A:SER1 3.6 30.7 1.0
CB A:SER1 3.6 33.2 1.0
CD1 A:ILE133 3.8 29.6 1.0
CG A:LEU2 3.8 35.4 1.0
C A:SER1 3.9 31.5 1.0
CB A:LEU2 3.9 28.1 1.0
HB3 B:SER1 4.0 40.2 1.0
HD11 A:ILE133 4.0 35.5 1.0
CD1 A:LEU2 4.0 34.5 1.0
HD12 A:ILE133 4.1 35.5 1.0
HB3 A:SER1 4.1 39.8 1.0
H1 B:SER1 4.1 49.7 1.0
HA B:SER1 4.1 43.2 1.0
CA A:LEU2 4.1 28.2 1.0
HB2 A:ASP108 4.3 43.7 0.5
CE2 A:PHE122 4.3 35.1 1.0
CG2 A:ILE133 4.4 25.1 1.0
HB3 A:ASP108 4.4 42.3 0.5
HD11 A:LEU2 4.4 41.4 1.0
HZ A:PHE122 4.4 38.6 1.0
HB2 B:SER1 4.5 40.2 1.0
CB B:SER1 4.5 33.5 1.0
HG23 A:ILE133 4.5 30.1 1.0
O B:HOH397 4.6 41.3 1.0
CA B:SER1 4.6 36.0 1.0
OG A:SER1 4.6 30.3 1.0
N B:SER1 4.8 41.4 1.0
HB3 A:LEU2 4.8 33.7 1.0
CZ A:PHE122 4.8 32.1 1.0
HA A:LEU2 4.8 33.8 1.0
CL B:CL201 4.8 43.2 1.0
O A:PHE107 4.8 34.2 1.0
HD13 A:LEU2 4.8 41.4 1.0
CG1 A:ILE133 4.9 28.4 1.0
H A:ILE3 4.9 29.8 1.0
HG12 A:ILE133 4.9 34.1 1.0
HG22 A:ILE133 4.9 30.1 1.0
N A:SER1 4.9 32.2 1.0
O A:HOH373 5.0 41.4 0.5

Chlorine binding site 2 out of 5 in 5uka

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Chlorine binding site 2 out of 5 in the Salmonella Typhimurium Ahpc E49Q 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 E49Q Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl201

b:43.2
occ:1.00
H B:LEU2 2.4 41.9 1.0
HB2 B:SER1 2.9 40.2 1.0
O B:HOH346 2.9 36.3 1.0
HD13 B:ILE133 2.9 35.2 1.0
HA B:SER1 3.0 43.2 1.0
O B:HOH397 3.1 41.3 1.0
O A:HOH425 3.1 38.4 1.0
N B:LEU2 3.2 34.9 1.0
HE2 B:PHE122 3.2 39.5 1.0
HG B:LEU2 3.2 42.9 1.0
HB2 B:LEU2 3.3 35.3 1.0
HD12 B:LEU2 3.3 43.0 1.0
HG21 B:ILE133 3.4 33.5 1.0
CA B:SER1 3.6 36.0 1.0
CB B:SER1 3.6 33.5 1.0
CD1 B:ILE133 3.8 29.3 1.0
CG B:LEU2 3.8 35.7 1.0
CB B:LEU2 3.9 29.4 1.0
C B:SER1 3.9 41.4 1.0
HB3 A:SER1 3.9 39.8 1.0
HD12 B:ILE133 4.0 35.2 1.0
CD1 B:LEU2 4.0 35.8 1.0
CE2 B:PHE122 4.1 32.9 1.0
HD11 B:ILE133 4.1 35.2 1.0
HA A:SER1 4.1 36.8 1.0
HZ B:PHE122 4.2 33.3 1.0
CA B:LEU2 4.2 31.8 1.0
HB3 B:SER1 4.2 40.2 1.0
CG2 B:ILE133 4.3 27.9 1.0
HD11 B:LEU2 4.4 43.0 1.0
H1 A:SER1 4.4 38.6 1.0
HB2 B:ASP108 4.4 39.8 0.5
HG23 B:ILE133 4.5 33.5 1.0
HB2 A:SER1 4.5 39.8 1.0
HB3 B:ASP108 4.5 39.4 0.5
CB A:SER1 4.5 33.2 1.0
CZ B:PHE122 4.6 27.8 1.0
OG B:SER1 4.6 32.7 1.0
CA A:SER1 4.7 30.7 1.0
O A:HOH335 4.7 37.5 1.0
HB3 B:LEU2 4.8 35.3 1.0
O B:PHE107 4.8 31.6 1.0
H3 A:SER1 4.8 38.6 1.0
HD13 B:LEU2 4.8 43.0 1.0
CL A:CL201 4.8 42.7 1.0
HA B:LEU2 4.8 38.1 1.0
N A:SER1 4.8 32.2 1.0
HG22 B:ILE133 4.9 33.5 1.0
CG1 B:ILE133 4.9 28.0 1.0
N B:SER1 5.0 41.4 1.0
H B:ILE3 5.0 34.8 1.0
HG12 B:ILE133 5.0 33.6 1.0

Chlorine binding site 3 out of 5 in 5uka

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Chlorine binding site 3 out of 5 in the Salmonella Typhimurium Ahpc E49Q 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 E49Q Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl201

b:48.7
occ:1.00
H C:LEU2 2.3 45.0 1.0
O D:HOH415 2.9 42.0 1.0
HD13 C:ILE133 2.9 48.5 1.0
O C:HOH462 2.9 39.0 1.0
HB2 C:SER1 2.9 44.9 1.0
O C:HOH478 2.9 40.0 1.0
HA C:SER1 3.0 50.6 1.0
N C:LEU2 3.1 37.5 1.0
HG C:LEU2 3.2 48.3 1.0
HB2 C:LEU2 3.3 42.9 1.0
HE2 C:PHE122 3.4 41.5 1.0
HG21 C:ILE133 3.5 44.7 1.0
HD12 C:LEU2 3.5 47.6 1.0
CA C:SER1 3.6 42.1 1.0
CB C:SER1 3.7 37.4 1.0
C C:SER1 3.8 44.6 1.0
HB3 D:SER1 3.8 42.9 1.0
CG C:LEU2 3.8 40.2 1.0
CD1 C:ILE133 3.8 40.5 1.0
CB C:LEU2 3.9 35.8 1.0
HA D:SER1 3.9 52.0 1.0
H1 D:SER1 4.0 53.5 1.0
CA C:LEU2 4.1 36.5 1.0
HD11 C:ILE133 4.1 48.5 1.0
CD1 C:LEU2 4.1 39.7 1.0
HD12 C:ILE133 4.1 48.5 1.0
CE2 C:PHE122 4.2 34.6 1.0
HB3 C:SER1 4.3 44.9 1.0
HZ C:PHE122 4.3 38.3 1.0
CB D:SER1 4.4 35.7 1.0
HB2 D:SER1 4.4 42.9 1.0
CG2 C:ILE133 4.5 37.3 1.0
CA D:SER1 4.5 43.3 1.0
HD11 C:LEU2 4.5 47.6 1.0
HB3 C:ASP108 4.6 52.2 0.5
OG C:SER1 4.6 37.7 1.0
O D:HOH370 4.6 42.6 1.0
HB2 C:ASP108 4.7 53.5 0.5
HG23 C:ILE133 4.7 44.7 1.0
N D:SER1 4.7 44.6 1.0
CL D:CL201 4.7 51.6 1.0
HA C:LEU2 4.7 43.8 1.0
CZ C:PHE122 4.7 31.9 1.0
HB3 C:LEU2 4.8 42.9 1.0
CG1 C:ILE133 4.9 34.8 1.0
H C:ILE3 4.9 43.5 1.0
HG12 C:ILE133 4.9 41.8 1.0
O C:PHE107 4.9 32.1 1.0
N C:SER1 4.9 43.2 1.0
HD13 C:LEU2 4.9 47.6 1.0
O C:SER1 5.0 43.1 1.0

Chlorine binding site 4 out of 5 in 5uka

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Chlorine binding site 4 out of 5 in the Salmonella Typhimurium Ahpc E49Q 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 E49Q Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl201

b:51.6
occ:1.00
H D:LEU2 2.4 47.2 1.0
HB2 D:SER1 2.8 42.9 1.0
HD13 D:ILE133 2.9 42.4 1.0
O C:HOH463 2.9 46.8 1.0
O D:HOH415 2.9 42.0 1.0
HA D:SER1 3.1 52.0 1.0
O D:HOH370 3.2 42.6 1.0
N D:LEU2 3.2 39.4 1.0
HG D:LEU2 3.2 47.3 1.0
HE2 D:PHE122 3.2 51.1 1.0
HB2 D:LEU2 3.3 43.1 1.0
HG21 D:ILE133 3.4 45.9 1.0
HD12 D:LEU2 3.4 51.0 1.0
CB D:SER1 3.6 35.7 1.0
CA D:SER1 3.6 43.3 1.0
CD1 D:ILE133 3.8 35.3 1.0
CG D:LEU2 3.8 39.5 1.0
CB D:LEU2 3.9 35.9 1.0
HA C:SER1 3.9 50.6 1.0
C D:SER1 3.9 50.7 1.0
HB3 C:SER1 3.9 44.9 1.0
HD12 D:ILE133 4.1 42.4 1.0
HB3 D:SER1 4.1 42.9 1.0
CD1 D:LEU2 4.1 42.5 1.0
HD11 D:ILE133 4.1 42.4 1.0
H1 C:SER1 4.1 51.9 1.0
CE2 D:PHE122 4.1 42.6 1.0
CA D:LEU2 4.2 38.1 1.0
HZ D:PHE122 4.3 47.4 1.0
HB2 C:SER1 4.3 44.9 1.0
CG2 D:ILE133 4.3 38.2 1.0
CB C:SER1 4.4 37.4 1.0
HD11 D:LEU2 4.5 51.0 1.0
HG23 D:ILE133 4.5 45.9 1.0
CA C:SER1 4.5 42.1 1.0
HB3 D:ASP108 4.6 50.4 0.5
CZ D:PHE122 4.6 39.5 1.0
OG D:SER1 4.7 35.0 1.0
CL C:CL201 4.7 48.7 1.0
HB2 D:ASP108 4.7 52.9 0.5
O C:HOH478 4.7 40.0 1.0
HB3 D:LEU2 4.8 43.1 1.0
N C:SER1 4.8 43.2 1.0
HA D:LEU2 4.8 45.8 1.0
O D:PHE107 4.8 36.4 1.0
HG22 D:ILE133 4.9 45.9 1.0
HD13 D:LEU2 4.9 51.0 1.0
H D:ILE3 4.9 39.2 1.0
CG1 D:ILE133 4.9 39.9 1.0
HG12 D:ILE133 5.0 47.8 1.0

Chlorine binding site 5 out of 5 in 5uka

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Chlorine binding site 5 out of 5 in the Salmonella Typhimurium Ahpc E49Q 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 E49Q Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl201

b:73.4
occ:1.00
H E:LEU2 2.3 68.5 1.0
HD13 E:ILE133 2.8 62.7 1.0
HB2 E:SER1 2.8 71.4 1.0
HA E:SER1 3.0 70.3 1.0
HB2 E:LEU2 3.1 63.9 1.0
N E:LEU2 3.1 57.1 1.0
O E:HOH318 3.2 59.9 1.0
HE2 E:PHE122 3.3 72.7 1.0
HG E:LEU2 3.3 67.7 1.0
HG21 E:ILE133 3.5 68.1 1.0
HD12 E:LEU2 3.5 67.5 1.0
CB E:SER1 3.6 59.5 1.0
CA E:SER1 3.6 58.6 1.0
CD1 E:ILE133 3.7 52.3 1.0
CB E:LEU2 3.7 53.3 1.0
C E:SER1 3.8 55.1 1.0
CG E:LEU2 3.9 56.5 1.0
HD11 E:ILE133 3.9 62.7 1.0
HD12 E:ILE133 3.9 62.7 1.0
CA E:LEU2 4.0 62.6 1.0
HZ E:PHE122 4.1 70.2 1.0
CE2 E:PHE122 4.1 60.6 1.0
CD1 E:LEU2 4.2 56.2 1.0
HB3 E:SER1 4.2 71.4 1.0
CG2 E:ILE133 4.4 56.7 1.0
HG23 E:ILE133 4.5 68.1 1.0
OG E:SER1 4.5 64.0 1.0
CZ E:PHE122 4.5 58.5 1.0
HB3 E:ASP108 4.5 80.4 1.0
HB3 E:LEU2 4.6 63.9 1.0
HD11 E:LEU2 4.6 67.5 1.0
HA E:LEU2 4.7 75.2 1.0
CG1 E:ILE133 4.8 48.0 1.0
HG E:SER1 4.8 76.8 1.0
H E:ILE3 4.8 65.7 1.0
O E:PHE107 4.8 54.0 1.0
HG12 E:ILE133 4.9 57.6 1.0
HD13 E:LEU2 4.9 67.5 1.0
HG22 E:ILE133 5.0 68.1 1.0
C E:LEU2 5.0 56.5 1.0
N E:SER1 5.0 59.2 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: Sat Dec 12 12:31:25 2020

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