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Chlorine in PDB 1umn: Crystal Structure of Dps-Like Peroxide Resistance Protein (Dpr) From Streptococcus Suis

Protein crystallography data

The structure of Crystal Structure of Dps-Like Peroxide Resistance Protein (Dpr) From Streptococcus Suis, PDB code: 1umn was solved by A.Kauko, S.Haataja, A.Pulliainen, J.Finne, A.C.Papageorgiou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 18.08 / 1.95
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 104.735, 138.168, 142.707, 90.00, 90.00, 90.00
R / Rfree (%) 18.5 / 22.4

Other elements in 1umn:

The structure of Crystal Structure of Dps-Like Peroxide Resistance Protein (Dpr) From Streptococcus Suis also contains other interesting chemical elements:

Calcium (Ca) 16 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Dps-Like Peroxide Resistance Protein (Dpr) From Streptococcus Suis (pdb code 1umn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Dps-Like Peroxide Resistance Protein (Dpr) From Streptococcus Suis, PDB code: 1umn:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 1umn

Go back to Chlorine Binding Sites List in 1umn
Chlorine binding site 1 out of 3 in the Crystal Structure of Dps-Like Peroxide Resistance Protein (Dpr) From Streptococcus Suis


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 Dps-Like Peroxide Resistance Protein (Dpr) From Streptococcus Suis within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1174

b:25.6
occ:1.00
O D:HOH2037 3.1 23.5 1.0
N D:ILE111 3.3 17.1 1.0
O D:HOH2038 3.4 20.7 1.0
O D:HOH2032 3.8 40.4 1.0
CB D:THR110 3.8 16.9 1.0
CG1 D:ILE111 3.8 18.5 1.0
CB D:ILE111 3.9 17.7 1.0
CA D:THR110 3.9 17.2 1.0
CA D:GLY52 4.0 17.1 1.0
O D:ARG51 4.1 17.4 1.0
C D:THR110 4.1 17.0 1.0
CA D:ILE111 4.2 17.8 1.0
OE1 D:GLU112 4.2 20.6 1.0
CG2 D:THR110 4.5 17.1 1.0
O D:HOH2116 4.6 27.2 1.0
O D:HOH2120 4.7 21.0 1.0
N D:ARG53 4.7 16.8 1.0
O D:HOH2014 4.7 25.9 1.0
C D:GLY52 4.8 16.7 1.0
OG1 D:THR110 4.9 16.4 1.0
N D:GLU112 5.0 17.8 1.0
C D:ARG51 5.0 17.2 1.0

Chlorine binding site 2 out of 3 in 1umn

Go back to Chlorine Binding Sites List in 1umn
Chlorine binding site 2 out of 3 in the Crystal Structure of Dps-Like Peroxide Resistance Protein (Dpr) From Streptococcus Suis


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 Dps-Like Peroxide Resistance Protein (Dpr) From Streptococcus Suis within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl1174

b:28.5
occ:1.00
O H:HOH2020 2.9 24.2 1.0
O H:HOH2086 3.0 22.2 1.0
N H:ILE111 3.3 22.2 1.0
O A:HOH2034 3.4 30.1 1.0
CA H:GLY52 3.7 17.9 1.0
CB H:THR110 3.8 21.6 1.0
CA H:THR110 3.8 21.6 1.0
O H:ARG51 3.9 18.7 1.0
CB H:ILE111 3.9 22.9 1.0
O H:HOH2084 3.9 19.6 1.0
CG1 H:ILE111 3.9 23.9 1.0
C H:THR110 4.0 21.6 1.0
CA H:ILE111 4.2 22.3 1.0
CG2 H:THR110 4.4 21.4 1.0
N H:ARG53 4.5 17.5 1.0
C H:GLY52 4.5 17.9 1.0
N H:GLY52 4.7 17.9 1.0
C H:ARG51 4.7 18.2 1.0
O K:HOH2148 4.9 35.5 1.0
OG1 H:THR110 4.9 20.8 1.0
N H:GLU112 5.0 22.1 1.0

Chlorine binding site 3 out of 3 in 1umn

Go back to Chlorine Binding Sites List in 1umn
Chlorine binding site 3 out of 3 in the Crystal Structure of Dps-Like Peroxide Resistance Protein (Dpr) From Streptococcus Suis


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 Dps-Like Peroxide Resistance Protein (Dpr) From Streptococcus Suis within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl1175

b:24.1
occ:1.00
O I:HOH2038 3.2 17.8 1.0
O I:HOH2036 3.3 31.0 1.0
N I:ILE111 3.3 19.1 1.0
O I:HOH2111 3.4 25.2 1.0
O I:HOH2037 3.4 17.5 1.0
CG1 I:ILE111 3.8 19.1 1.0
CA I:GLY52 3.8 16.0 1.0
CB I:THR110 3.9 19.6 1.0
CB I:ILE111 3.9 18.8 1.0
O I:ARG51 3.9 16.5 1.0
CA I:THR110 4.0 19.8 1.0
C I:THR110 4.1 19.6 1.0
CA I:ILE111 4.2 18.7 1.0
O I:HOH2109 4.5 25.6 1.0
CG2 I:THR110 4.6 19.5 1.0
N I:ARG53 4.6 16.4 1.0
C I:GLY52 4.6 16.4 1.0
C I:ARG51 4.8 16.2 1.0
N I:GLY52 4.8 16.2 1.0
O I:HOH2046 4.9 27.9 1.0
CA I:CA1176 4.9 26.2 1.0
OG1 I:THR110 4.9 19.3 1.0
N I:GLU112 5.0 18.8 1.0

Reference:

A.Kauko, S.Haataja, A.T.Pulliainen, J.Finne, A.C.Papageorgiou. Crystal Structure of Streptococcus Suis Dps-Like Peroxide Resistance Protein Dpr: Implications For Iron Incorporation. J. Mol. Biol. V. 338 547 2004.
ISSN: ISSN 0022-2836
PubMed: 15081812
DOI: 10.1016/J.JMB.2004.03.009
Page generated: Sat Dec 12 08:50:54 2020

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