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Chlorine in PDB 4k1f: Crystal Structure of Reduced Tryparedoxin Peroxidase From Leishmania Major at 2.34 A Resolution

Enzymatic activity of Crystal Structure of Reduced Tryparedoxin Peroxidase From Leishmania Major at 2.34 A Resolution

All present enzymatic activity of Crystal Structure of Reduced Tryparedoxin Peroxidase From Leishmania Major at 2.34 A Resolution:
1.11.1.15;

Protein crystallography data

The structure of Crystal Structure of Reduced Tryparedoxin Peroxidase From Leishmania Major at 2.34 A Resolution, PDB code: 4k1f was solved by A.Ilari, A.Fiorillo, F.Di Chiaro, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 113.10 / 2.34
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 111.811, 226.203, 91.719, 90.00, 90.00, 90.00
R / Rfree (%) 19.4 / 24.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Reduced Tryparedoxin Peroxidase From Leishmania Major at 2.34 A Resolution (pdb code 4k1f). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Reduced Tryparedoxin Peroxidase From Leishmania Major at 2.34 A Resolution, PDB code: 4k1f:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4k1f

Go back to Chlorine Binding Sites List in 4k1f
Chlorine binding site 1 out of 4 in the Crystal Structure of Reduced Tryparedoxin Peroxidase From Leishmania Major at 2.34 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Reduced Tryparedoxin Peroxidase From Leishmania Major at 2.34 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:65.5
occ:1.00
NE2 A:HIS169 3.2 41.1 1.0
NZ A:LYS168 3.7 45.6 1.0
CD A:LYS168 4.0 40.7 1.0
CE1 A:HIS169 4.0 40.3 1.0
CD2 A:HIS169 4.2 38.4 1.0
CE A:LYS168 4.3 43.7 1.0
CD2 A:PHE165 4.7 27.8 1.0

Chlorine binding site 2 out of 4 in 4k1f

Go back to Chlorine Binding Sites List in 4k1f
Chlorine binding site 2 out of 4 in the Crystal Structure of Reduced Tryparedoxin Peroxidase From Leishmania Major at 2.34 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Reduced Tryparedoxin Peroxidase From Leishmania Major at 2.34 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl202

b:52.3
occ:1.00
NE2 C:HIS169 3.4 38.8 1.0
NZ C:LYS179 3.5 27.1 0.5
CD C:LYS168 4.2 41.4 1.0
CE1 C:HIS169 4.3 38.5 1.0
CD2 C:HIS169 4.4 37.7 1.0
CE C:LYS168 4.4 44.7 1.0
CD2 C:PHE165 4.6 28.6 1.0
CE C:LYS179 5.0 31.2 0.5
CE2 C:PHE165 5.0 29.4 1.0

Chlorine binding site 3 out of 4 in 4k1f

Go back to Chlorine Binding Sites List in 4k1f
Chlorine binding site 3 out of 4 in the Crystal Structure of Reduced Tryparedoxin Peroxidase From Leishmania Major at 2.34 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Reduced Tryparedoxin Peroxidase From Leishmania Major at 2.34 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl202

b:63.0
occ:1.00
NE2 D:HIS169 3.5 41.5 1.0
NZ D:LYS168 3.6 46.4 1.0
CD D:LYS168 4.2 42.2 1.0
CE1 D:HIS169 4.2 40.5 1.0
CE D:LYS168 4.3 44.6 1.0
NZ D:LYS179 4.3 52.5 1.0
CD2 D:HIS169 4.6 38.2 1.0

Chlorine binding site 4 out of 4 in 4k1f

Go back to Chlorine Binding Sites List in 4k1f
Chlorine binding site 4 out of 4 in the Crystal Structure of Reduced Tryparedoxin Peroxidase From Leishmania Major at 2.34 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Reduced Tryparedoxin Peroxidase From Leishmania Major at 2.34 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl202

b:65.7
occ:1.00
O E:HOH350 4.1 27.9 1.0
CE E:LYS179 4.3 49.8 1.0
NE2 E:HIS169 4.4 41.1 1.0
NZ E:LYS179 4.5 51.9 1.0
CE E:LYS168 4.6 45.0 1.0
CD E:LYS168 4.7 42.3 1.0
NZ E:LYS168 4.7 45.1 1.0
CE1 E:HIS169 5.0 40.5 1.0

Reference:

A.Ilari, A.Fiorillo, F.Di Chiaro. Crystal Structure of Reduced Tryparedoxin Peroxidase From Leishmania Major at 2.34 A Resolution To Be Published.
Page generated: Sun Jul 21 17:52:25 2024

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