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Calcium in PDB 4i71: Crystal Structure of the Trypanosoma Brucei Inosine-Adenosine- Guanosine Nucleoside Hydrolase in Complex with A Trypanocidal Compound

Enzymatic activity of Crystal Structure of the Trypanosoma Brucei Inosine-Adenosine- Guanosine Nucleoside Hydrolase in Complex with A Trypanocidal Compound

All present enzymatic activity of Crystal Structure of the Trypanosoma Brucei Inosine-Adenosine- Guanosine Nucleoside Hydrolase in Complex with A Trypanocidal Compound:
3.2.2.1;

Protein crystallography data

The structure of Crystal Structure of the Trypanosoma Brucei Inosine-Adenosine- Guanosine Nucleoside Hydrolase in Complex with A Trypanocidal Compound, PDB code: 4i71 was solved by F.Giannese, M.Degano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 133.30 / 1.28
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 66.360, 72.350, 133.280, 90.00, 90.00, 90.00
R / Rfree (%) 12.6 / 14.7

Other elements in 4i71:

The structure of Crystal Structure of the Trypanosoma Brucei Inosine-Adenosine- Guanosine Nucleoside Hydrolase in Complex with A Trypanocidal Compound also contains other interesting chemical elements:

Nickel (Ni) 4 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of the Trypanosoma Brucei Inosine-Adenosine- Guanosine Nucleoside Hydrolase in Complex with A Trypanocidal Compound (pdb code 4i71). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of the Trypanosoma Brucei Inosine-Adenosine- Guanosine Nucleoside Hydrolase in Complex with A Trypanocidal Compound, PDB code: 4i71:

Calcium binding site 1 out of 1 in 4i71

Go back to Calcium Binding Sites List in 4i71
Calcium binding site 1 out of 1 in the Crystal Structure of the Trypanosoma Brucei Inosine-Adenosine- Guanosine Nucleoside Hydrolase in Complex with A Trypanocidal Compound


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the Trypanosoma Brucei Inosine-Adenosine- Guanosine Nucleoside Hydrolase in Complex with A Trypanocidal Compound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca402

b:6.6
occ:1.00
 O A:THR137 2.3 7.2 1.0
OD1 A:ASP10 2.3 7.3 1.0
O2' A:AGV401 2.4 8.9 1.0
OD2 A:ASP15 2.5 7.1 1.0
OD2 A:ASP261 2.5 7.9 1.0
O A:HOH504 2.5 7.9 1.0
OD1 A:ASP15 2.5 6.9 1.0
O3' A:AGV401 2.5 7.3 1.0
CG A:ASP15 2.8 6.6 1.0
C A:THR137 3.4 7.5 1.0
CG A:ASP261 3.4 7.4 1.0
C2' A:AGV401 3.5 7.9 1.0
CG A:ASP10 3.5 7.0 1.0
C3' A:AGV401 3.5 7.9 1.0
OD1 A:ASP261 3.7 8.3 1.0
OD2 A:ASP10 4.0 7.8 1.0
OD1 A:ASP14 4.1 8.7 0.3
N A:GLY138 4.1 8.7 1.0
CA A:GLY138 4.2 8.9 1.0
C1' A:AGV401 4.2 8.1 1.0
N4' A:AGV401 4.2 8.5 1.0
CB A:ASP15 4.3 6.5 1.0
CB A:THR137 4.3 8.3 1.0
C4' A:AGV401 4.4 7.6 1.0
CA A:THR137 4.4 7.5 1.0
OG1 A:THR137 4.4 9.1 1.0
N A:ASP10 4.5 6.5 1.0
OD1 A:ASN186 4.5 8.8 1.0
ND2 A:ASN186 4.5 8.5 1.0
CB A:ASP10 4.7 7.2 1.0
CB A:ASP261 4.8 6.7 1.0
N A:ASP15 4.9 6.2 1.0
CB A:ASN12 4.9 7.3 1.0
OD2 A:ASP14 4.9 9.9 0.3
CA A:ASP15 4.9 6.5 1.0
CG A:ASP14 4.9 7.9 0.3
CA A:ASP10 4.9 7.2 1.0
C A:ASP10 4.9 7.1 1.0
CG A:ASN186 5.0 7.9 1.0
N A:ASN12 5.0 7.3 1.0

Reference:

F.Giannese, M.Berg, P.Van Der Veken, V.Castagna, P.Tornaghi, K.Augustyns, M.Degano. Structures of Purine Nucleosidase From Trypanosoma Brucei Bound to Isozyme-Specific Trypanocidals and A Novel Metalorganic Inhibitor Acta Crystallogr.,Sect.D V. 69 1553 2013.
ISSN: ISSN 0907-4449
PubMed: 23897478
DOI: 10.1107/S0907444913010792
Page generated: Sun Jul 14 08:02:32 2024

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