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Chlorine in PDB 1xe3: Crystal Structure of Purine Nucleoside Phosphorylase Deod From Bacillus Anthracis

Enzymatic activity of Crystal Structure of Purine Nucleoside Phosphorylase Deod From Bacillus Anthracis

All present enzymatic activity of Crystal Structure of Purine Nucleoside Phosphorylase Deod From Bacillus Anthracis:
2.4.2.1;

Protein crystallography data

The structure of Crystal Structure of Purine Nucleoside Phosphorylase Deod From Bacillus Anthracis, PDB code: 1xe3 was solved by R.Grenha, V.M.Levdikov, M.Fogg, E.V.Blagova, J.A.Brannigan, A.J.Wilkinson, K.S.Wilson, Structural Proteomics In Europe(Spine), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.24
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 63.861, 128.257, 223.565, 90.00, 90.00, 90.00
R / Rfree (%) 18.1 / 23.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Purine Nucleoside Phosphorylase Deod From Bacillus Anthracis (pdb code 1xe3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of Purine Nucleoside Phosphorylase Deod From Bacillus Anthracis, PDB code: 1xe3:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 1xe3

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Chlorine binding site 1 out of 6 in the Crystal Structure of Purine Nucleoside Phosphorylase Deod From Bacillus Anthracis


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 Purine Nucleoside Phosphorylase Deod From Bacillus Anthracis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl805

b:26.3
occ:1.00
 OG A:SER68 2.8 18.3 1.0
N D:MET64 3.0 17.6 1.0
O D:HOH817 3.4 15.6 1.0
CA D:GLY63 3.6 18.5 1.0
CB A:SER68 3.7 16.8 1.0
CA A:GLY63 3.8 20.6 1.0
C D:GLY63 3.8 17.8 1.0
CB D:MET64 3.9 17.6 1.0
CA D:MET64 3.9 17.5 1.0
CE D:MET64 4.0 15.6 1.0
CG D:MET64 4.0 17.7 1.0
O D:MET64 4.1 17.0 1.0
CE A:MET45 4.2 18.8 1.0
N A:GLY63 4.4 21.3 1.0
O A:HOH902 4.4 27.7 1.0
OG D:SER68 4.5 15.8 1.0
C D:MET64 4.5 17.0 1.0
C A:GLY63 4.7 19.9 1.0
CA A:SER68 4.7 17.2 1.0
N A:MET64 4.7 19.0 1.0
CE1 A:TYR72 4.8 17.2 1.0
O D:HOH908 4.8 38.8 1.0
SD D:MET64 4.9 17.3 1.0
CB D:SER68 5.0 16.6 1.0

Chlorine binding site 2 out of 6 in 1xe3

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Chlorine binding site 2 out of 6 in the Crystal Structure of Purine Nucleoside Phosphorylase Deod From Bacillus Anthracis


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 Purine Nucleoside Phosphorylase Deod From Bacillus Anthracis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl801

b:23.9
occ:1.00
 OG E:SER68 2.9 20.0 1.0
O B:HOH809 3.0 15.7 1.0
N B:MET64 3.2 18.5 1.0
CA B:GLY63 3.6 19.0 1.0
CA E:GLY63 3.6 19.9 1.0
CB E:SER68 3.7 19.3 1.0
C B:GLY63 3.9 18.8 1.0
CE E:MET45 3.9 23.0 1.0
O E:HOH338 4.0 33.8 1.0
CB B:MET64 4.0 18.2 1.0
CA B:MET64 4.1 18.1 1.0
CE B:MET64 4.2 19.9 1.0
CG B:MET64 4.2 18.7 1.0
N E:GLY63 4.4 20.5 1.0
O B:MET64 4.4 17.5 1.0
OG B:SER68 4.5 15.4 1.0
C E:GLY63 4.6 19.5 1.0
O B:HOH854 4.6 23.1 1.0
N E:MET64 4.6 19.5 1.0
C B:MET64 4.8 18.0 1.0
CE1 E:TYR72 4.8 18.8 1.0
CE B:MET45 4.9 19.1 1.0
CA E:SER68 4.9 19.5 1.0
OH E:TYR72 5.0 20.7 1.0
N B:GLY63 5.0 19.1 1.0

Chlorine binding site 3 out of 6 in 1xe3

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Chlorine binding site 3 out of 6 in the Crystal Structure of Purine Nucleoside Phosphorylase Deod From Bacillus Anthracis


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 Purine Nucleoside Phosphorylase Deod From Bacillus Anthracis within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl802

b:17.7
occ:1.00
 OG1 C:THR220 3.1 18.6 1.0
N C:THR220 3.3 20.7 1.0
NE C:ARG101 3.3 17.4 1.0
O C:GLU216 3.4 21.5 1.0
CA C:ARG217 3.7 23.1 1.0
CD C:ARG101 3.8 18.0 1.0
CB C:THR219 3.8 20.6 1.0
N C:THR219 3.8 21.0 1.0
CB C:THR220 3.8 20.5 1.0
C C:ARG217 3.8 22.8 1.0
CA C:THR219 4.1 20.9 1.0
O C:ARG217 4.1 22.0 1.0
C C:THR219 4.1 20.7 1.0
CA C:THR220 4.1 21.1 1.0
C C:GLU216 4.3 23.0 1.0
OG1 C:THR219 4.3 18.9 1.0
N C:GLN218 4.4 23.1 1.0
CZ C:ARG101 4.4 18.4 1.0
N C:ARG217 4.4 22.7 1.0
CG C:ARG101 4.6 17.8 1.0
NH2 C:ARG101 4.6 19.8 1.0
CB C:ARG217 4.7 23.7 1.0
C C:GLN218 4.8 21.8 1.0
CG2 C:THR219 4.9 20.4 1.0

Chlorine binding site 4 out of 6 in 1xe3

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Chlorine binding site 4 out of 6 in the Crystal Structure of Purine Nucleoside Phosphorylase Deod From Bacillus Anthracis


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 Purine Nucleoside Phosphorylase Deod From Bacillus Anthracis within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl806

b:24.7
occ:1.00
 O C:SER113 2.5 21.1 1.0
OD2 E:ASP124 2.8 21.4 1.0
N C:ASN116 2.9 24.2 1.0
C C:ASN114 3.3 22.9 1.0
N C:MET115 3.3 23.5 1.0
N C:ARG117 3.4 25.3 1.0
CG C:ARG117 3.5 27.2 1.0
C C:SER113 3.5 21.3 1.0
CA C:ASN116 3.6 24.4 1.0
O C:ASN114 3.6 22.7 1.0
CA C:ASN114 3.7 22.6 1.0
CB C:ASN116 3.7 23.8 1.0
CG E:ASP124 3.7 22.6 1.0
C C:MET115 3.9 24.7 1.0
C C:ASN116 3.9 24.5 1.0
N C:ASN114 4.0 22.5 1.0
CA C:MET115 4.1 24.5 1.0
NE C:ARG117 4.1 31.6 1.0
OD1 E:ASP124 4.1 26.0 1.0
CG2 C:THR111 4.1 18.7 1.0
CZ C:ARG117 4.2 31.6 1.0
O E:HOH241 4.2 10.6 1.0
CB C:ARG117 4.2 26.2 1.0
O E:HOH240 4.3 10.8 1.0
CA C:ARG117 4.4 26.0 1.0
CD C:ARG117 4.4 28.9 1.0
NH2 C:ARG117 4.5 31.0 1.0
NH1 C:ARG117 4.5 33.0 1.0
CG C:MET115 4.6 24.6 1.0
CG C:ASN116 4.6 23.2 1.0
CA C:SER113 4.7 20.6 1.0
OG C:SER113 4.8 20.8 1.0
OD1 C:ASN116 4.8 22.2 1.0
CB E:ASP124 4.9 20.8 1.0
CB C:MET115 4.9 24.7 1.0
O C:MET115 5.0 26.2 1.0
CB C:SER113 5.0 20.6 1.0

Chlorine binding site 5 out of 6 in 1xe3

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Chlorine binding site 5 out of 6 in the Crystal Structure of Purine Nucleoside Phosphorylase Deod From Bacillus Anthracis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Purine Nucleoside Phosphorylase Deod From Bacillus Anthracis within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl804

b:16.2
occ:1.00
 OG1 D:THR219 3.1 25.2 1.0
O D:HOH836 3.3 18.9 1.0
CB D:THR219 4.0 24.2 1.0
NH1 D:ARG101 4.1 25.9 1.0
CG2 D:THR219 4.6 22.6 1.0
O D:HOH823 4.6 16.2 1.0
O D:HOH864 4.8 23.7 1.0
OG1 D:THR220 4.9 23.0 1.0

Chlorine binding site 6 out of 6 in 1xe3

Go back to Chlorine Binding Sites List in 1xe3
Chlorine binding site 6 out of 6 in the Crystal Structure of Purine Nucleoside Phosphorylase Deod From Bacillus Anthracis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Purine Nucleoside Phosphorylase Deod From Bacillus Anthracis within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl803

b:17.5
occ:1.00
 OG1 F:THR220 2.8 20.2 1.0
NE F:ARG101 3.3 17.6 1.0
N F:THR220 3.4 22.3 1.0
O F:GLU216 3.5 25.4 1.0
CA F:ARG217 3.7 25.7 1.0
CB F:THR220 3.7 21.6 1.0
CD F:ARG101 3.8 17.7 1.0
C F:ARG217 3.8 25.1 1.0
N F:THR219 3.9 23.1 1.0
O F:ARG217 4.0 24.0 1.0
CA F:THR220 4.1 22.2 1.0
OG1 F:THR219 4.2 26.5 1.0
C F:THR219 4.3 22.3 1.0
N F:GLN218 4.3 24.8 1.0
CA F:THR219 4.4 23.2 1.0
C F:GLU216 4.4 25.9 1.0
CZ F:ARG101 4.4 16.5 1.0
CG F:ARG101 4.5 18.4 1.0
N F:ARG217 4.5 25.8 1.0
CG2 F:THR219 4.5 21.7 1.0
CB F:THR219 4.6 23.3 1.0
NH2 F:ARG101 4.6 16.6 1.0
CB F:ARG217 4.6 26.0 1.0
C F:GLN218 4.8 23.5 1.0

Reference:

R.Grenha, V.M.Levdikov, M.J.Fogg, E.V.Blagova, J.A.Brannigan, A.J.Wilkinson, K.S.Wilson. Structure of Purine Nucleoside Phosphorylase (Deod) From Bacillus Anthracis. Acta Crystallogr.,Sect.F V. 61 459 2005.
ISSN: ESSN 1744-3091
PubMed: 16511068
DOI: 10.1107/S174430910501095X
Page generated: Sat Jul 20 03:54:46 2024

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