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Chlorine in PDB 1vzi: Structure of Superoxide Reductase Bound to Ferrocyanide and Active Site Expansion Upon X-Ray Induced Photoreduction

Enzymatic activity of Structure of Superoxide Reductase Bound to Ferrocyanide and Active Site Expansion Upon X-Ray Induced Photoreduction

All present enzymatic activity of Structure of Superoxide Reductase Bound to Ferrocyanide and Active Site Expansion Upon X-Ray Induced Photoreduction:
1.15.1.2;

Protein crystallography data

The structure of Structure of Superoxide Reductase Bound to Ferrocyanide and Active Site Expansion Upon X-Ray Induced Photoreduction, PDB code: 1vzi was solved by V.Adam, A.Royant, V.Niviere, F.P.Molina-Heredia, D.Bourgeois, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.00 / 1.15
Space group I 41 2 2
Cell size a, b, c (Å), α, β, γ (°) 123.608, 123.608, 73.016, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Other elements in 1vzi:

The structure of Structure of Superoxide Reductase Bound to Ferrocyanide and Active Site Expansion Upon X-Ray Induced Photoreduction also contains other interesting chemical elements:

Iron (Fe) 4 atoms
Calcium (Ca) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Superoxide Reductase Bound to Ferrocyanide and Active Site Expansion Upon X-Ray Induced Photoreduction (pdb code 1vzi). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Structure of Superoxide Reductase Bound to Ferrocyanide and Active Site Expansion Upon X-Ray Induced Photoreduction, PDB code: 1vzi:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 1vzi

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Chlorine binding site 1 out of 5 in the Structure of Superoxide Reductase Bound to Ferrocyanide and Active Site Expansion Upon X-Ray Induced Photoreduction


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Superoxide Reductase Bound to Ferrocyanide and Active Site Expansion Upon X-Ray Induced Photoreduction within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1128

b:19.6
occ:1.00
 O A:HOH2149 3.0 27.1 1.0
O A:HOH2139 3.1 20.1 1.0
O A:HOH2058 3.2 43.7 1.0
CE1 A:HIS48 3.6 11.8 1.0
CE1 A:HIS74 3.7 13.1 1.0
CE1 A:HIS118 3.8 12.2 1.0
CD A:LYS47 4.0 17.2 1.0
ND1 A:HIS118 4.2 11.2 1.0
FE A:FE21132 4.2 11.9 1.0
NE2 A:HIS48 4.3 11.7 1.0
NE2 A:HIS74 4.4 11.7 1.0
NE2 A:HIS68 4.4 11.2 1.0
CB A:LYS47 4.5 13.6 1.0
CD2 A:HIS68 4.5 11.4 1.0
CD A:PRO69 4.6 14.2 1.0
ND1 A:HIS48 4.6 12.2 1.0
ND1 A:HIS74 4.7 12.9 1.0
NE2 A:HIS118 4.7 11.9 1.0
CG A:LYS47 4.8 16.0 1.0
CB A:ALA44 4.8 20.2 1.0
CE A:LYS47 4.9 17.9 1.0
NZ A:LYS47 4.9 21.5 1.0
CG A:PRO69 4.9 17.0 1.0

Chlorine binding site 2 out of 5 in 1vzi

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Chlorine binding site 2 out of 5 in the Structure of Superoxide Reductase Bound to Ferrocyanide and Active Site Expansion Upon X-Ray Induced Photoreduction


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Superoxide Reductase Bound to Ferrocyanide and Active Site Expansion Upon X-Ray Induced Photoreduction within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1129

b:19.4
occ:1.00
 O A:HOH2008 3.0 53.4 1.0
O A:HOH2073 3.0 25.1 1.0
CL A:CL1130 3.1 28.8 1.0
N A:GLY21 3.2 11.4 1.0
NE A:ARG3 3.8 19.5 1.0
CA A:ASN20 3.8 11.7 1.0
OD1 A:ASN20 3.9 15.3 1.0
CB A:ARG3 3.9 12.1 1.0
O A:HOH2014 3.9 22.3 1.0
C A:ASN20 3.9 11.0 1.0
NH2 A:ARG3 4.1 28.7 1.0
CA A:GLY21 4.1 11.6 1.0
CZ A:ARG3 4.2 21.0 1.0
CG A:ASN20 4.3 13.1 1.0
O A:LEU19 4.3 11.8 1.0
O A:HOH2031 4.4 64.4 1.0
CG A:ARG3 4.6 14.8 1.0
CD A:ARG3 4.6 16.5 1.0
N A:ARG3 4.6 10.9 1.0
CB A:ASN20 4.6 12.8 1.0
CA A:ARG3 4.7 10.8 1.0
N A:ASN20 4.8 11.6 1.0
O A:HOH2012 4.8 52.9 1.0
C A:LEU19 4.9 10.5 1.0
ND2 A:ASN20 5.0 15.3 1.0
O A:GLY21 5.0 17.4 1.0
C A:GLY21 5.0 12.2 1.0

Chlorine binding site 3 out of 5 in 1vzi

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Chlorine binding site 3 out of 5 in the Structure of Superoxide Reductase Bound to Ferrocyanide and Active Site Expansion Upon X-Ray Induced Photoreduction


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Superoxide Reductase Bound to Ferrocyanide and Active Site Expansion Upon X-Ray Induced Photoreduction within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1130

b:28.8
occ:1.00
 O A:HOH2012 2.9 52.9 1.0
N A:ARG3 3.1 10.9 1.0
CL A:CL1129 3.1 19.4 1.0
O A:HOH2006 3.2 59.0 1.0
O A:HOH2008 3.4 53.4 1.0
CA A:GLU2 3.6 12.2 1.0
CB A:ARG3 3.8 12.1 1.0
C A:GLU2 3.9 10.6 1.0
CA A:GLY21 4.0 11.6 1.0
N A:GLY21 4.0 11.4 1.0
CA A:ARG3 4.0 10.8 1.0
CB A:GLU2 4.1 15.5 1.0
O A:HOH2003 4.2 49.7 1.0
CG A:GLU2 4.5 20.5 1.0
O A:PRO1 4.6 12.2 1.0
O A:HOH2017 4.6 40.0 1.0
N A:GLU2 4.8 11.2 1.0
C A:GLY21 5.0 12.2 1.0

Chlorine binding site 4 out of 5 in 1vzi

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Chlorine binding site 4 out of 5 in the Structure of Superoxide Reductase Bound to Ferrocyanide and Active Site Expansion Upon X-Ray Induced Photoreduction


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Superoxide Reductase Bound to Ferrocyanide and Active Site Expansion Upon X-Ray Induced Photoreduction within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1126

b:22.3
occ:0.50
 CL B:CL1126 0.0 22.3 0.5
CL B:CL1126 2.2 19.8 0.5
O B:HOH2157 2.9 32.6 1.0
O B:HOH2150 3.0 44.0 1.0
CE1 B:HIS48 3.6 14.2 1.0
CE1 B:HIS118 3.7 16.1 1.0
CD B:LYS47 3.8 20.6 1.0
CE1 B:HIS74 3.8 14.9 1.0
ND1 B:HIS118 4.1 14.4 1.0
FE B:FE21128 4.4 14.6 1.0
NE2 B:HIS74 4.4 14.9 1.0
NE2 B:HIS48 4.5 13.7 1.0
NE2 B:HIS118 4.5 16.2 1.0
CB B:LYS47 4.5 15.6 1.0
ND1 B:HIS48 4.6 13.8 1.0
CE B:LYS47 4.6 23.5 1.0
CG B:LYS47 4.6 17.2 1.0
O B:HOH2061 4.6 57.6 1.0
CB B:ALA44 4.7 17.1 1.0
NE2 B:HIS68 4.7 14.3 1.0
NZ B:LYS47 4.8 25.0 1.0
ND1 B:HIS74 4.9 13.7 1.0
CD2 B:HIS68 4.9 14.7 1.0
O B:HOH2250 4.9 39.6 1.0

Chlorine binding site 5 out of 5 in 1vzi

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Chlorine binding site 5 out of 5 in the Structure of Superoxide Reductase Bound to Ferrocyanide and Active Site Expansion Upon X-Ray Induced Photoreduction


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of Superoxide Reductase Bound to Ferrocyanide and Active Site Expansion Upon X-Ray Induced Photoreduction within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1126

b:19.8
occ:0.50
 CL B:CL1126 0.0 19.8 0.5
CL B:CL1126 2.2 22.3 0.5
N B:ALA44 3.2 15.4 1.0
O B:HOH2150 3.4 44.0 1.0
CE1 B:HIS48 3.4 14.2 1.0
CB B:ALA44 3.6 17.1 1.0
CE1 B:HIS118 3.7 16.1 1.0
NE2 B:HIS118 3.9 16.2 1.0
CA B:ALA44 4.0 16.1 1.0
ND1 B:HIS48 4.1 13.8 1.0
ND1 B:HIS118 4.1 14.4 1.0
C B:ALA43 4.2 16.1 1.0
CA B:ALA43 4.2 18.9 1.0
CB B:ALA43 4.3 22.1 1.0
O B:HOH2250 4.4 39.6 1.0
CD2 B:HIS118 4.5 16.4 1.0
CG B:HIS118 4.6 14.4 1.0
NE2 B:HIS48 4.6 13.7 1.0
O B:ALA44 4.9 14.9 1.0
C B:ALA44 4.9 14.2 1.0
O B:HOH2157 4.9 32.6 1.0

Reference:

V.Adam, A.Royant, V.Niviere, F.P.Molina-Heredia, D.Bourgeois. Structure of Superoxide Reductase Bound to Ferrocyanide and Active Site Expansion Upon X-Ray-Induced Photo-Reduction. Structure V. 12 1729 2004.
ISSN: ISSN 0969-2126
PubMed: 15341736
DOI: 10.1016/J.STR.2004.07.013
Page generated: Sat Jul 20 03:29:28 2024

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