Chlorine in PDB 1urm: Human Peroxiredoxin 5, C47S Mutant

The structure of Human Peroxiredoxin 5, C47S Mutant, PDB code: 1urm was solved by J.P.Declercq, C.Evrard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.70
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	65.646, 65.646, 122.043, 90.00, 90.00, 90.00
R / Rfree (%)	14.6 / 16.9

The binding sites of Chlorine atom in the Human Peroxiredoxin 5, C47S Mutant (pdb code 1urm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Human Peroxiredoxin 5, C47S Mutant, PDB code: 1urm:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Human Peroxiredoxin 5, C47S Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Peroxiredoxin 5, C47S Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1162 b:24.2 occ:1.00 OG A:SER118 3.0 14.0 1.0 CB A:SER118 3.6 13.3 1.0

Chlorine binding site 2 out of 3 in the Human Peroxiredoxin 5, C47S Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Peroxiredoxin 5, C47S Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1163 b:27.4 occ:1.00 O A:HOH2184 3.1 48.4 1.0 O A:HOH2182 3.2 22.6 1.0 N A:GLU91 3.2 15.4 1.0 O A:HOH2168 3.3 35.2 1.0 CB A:GLU91 3.4 18.3 1.0 N A:ALA90 3.4 16.2 1.0 CA A:ARG86 3.6 14.4 1.0 CA A:LYS89 3.7 18.3 1.0 C A:LYS89 3.8 17.4 1.0 CA A:GLU91 3.9 17.1 1.0 O A:GLY85 3.9 14.6 1.0 CG A:ARG86 4.0 19.4 1.0 O A:HOH2185 4.1 50.9 1.0 C A:ALA90 4.2 15.6 1.0 O A:ARG86 4.2 17.3 1.0 N A:LYS89 4.2 17.3 1.0 CB A:ARG86 4.2 14.5 1.0 N A:ARG86 4.2 13.8 1.0 CA A:ALA90 4.3 15.9 1.0 C A:GLY85 4.3 14.4 1.0 C A:ARG86 4.4 15.3 1.0 O A:LYS89 4.6 16.8 1.0 OE1 A:GLU91 4.6 27.6 0.5 CD A:LYS89 4.7 23.0 0.5 CG A:GLU91 4.7 20.8 0.5 CG A:GLU91 4.8 20.9 0.5 CB A:ALA90 4.8 15.9 1.0 CB A:LYS89 4.9 19.2 0.5 CB A:LYS89 4.9 19.3 0.5 O A:HOH2186 4.9 30.1 1.0 OE1 A:GLU91 5.0 27.9 0.5

Chlorine binding site 3 out of 3 in the Human Peroxiredoxin 5, C47S Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Human Peroxiredoxin 5, C47S Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1164 b:24.5 occ:1.00 O A:HOH2022 2.9 31.7 1.0 O A:HOH2132 3.0 25.5 1.0 O A:HOH2123 3.1 16.3 1.0 O A:HOH2115 3.1 26.9 1.0 CD A:PRO155 3.5 15.9 1.0 CA A:GLY54 3.6 12.8 1.0 O A:THR50 3.8 14.3 1.0 CB A:LEU153 3.9 13.4 1.0 CG A:PRO155 4.1 18.1 1.0 CD1 A:LEU153 4.1 14.8 1.0 N A:ALA154 4.2 13.7 1.0 CG2 A:THR50 4.3 16.0 1.0 N A:GLY54 4.4 12.9 1.0 CG A:LEU153 4.5 13.3 1.0 C A:GLY54 4.6 13.1 1.0 CB A:ALA154 4.6 13.5 1.0 O A:HOH2062 4.6 47.8 1.0 CD2 A:LEU153 4.6 15.9 1.0 C A:THR50 4.7 14.0 1.0 CA A:LEU153 4.8 13.5 1.0 O A:HOH2141 4.8 43.8 1.0 OE2 A:GLU57 4.8 19.2 0.5 N A:PRO155 4.8 15.3 1.0 O A:HOH2130 4.9 38.6 1.0 C A:LEU153 4.9 13.5 1.0 CA A:ALA154 4.9 13.8 1.0 O A:HOH2137 4.9 35.5 1.0

C.Evrard, A.Smeets, B.Knoops, J.P.Declercq. Crystal Structure of the C47S Mutant of Human Peroxiredoxin 5 J. Chem. Cryst. V. 34 553 2004.
ISSN: ISSN 1074-1542
DOI: 10.1023/B:JOCC.0000042025.08082.6C