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Calcium in PDB 4i74: Crystal Structure of the Trypanosoma Brucei Inosine-Adenosine- Guanosine Nucleoside Hydrolase in Complex with Compound Uamc-00312 and Allosterically Inhibited By A NI2+ Ion

Enzymatic activity of Crystal Structure of the Trypanosoma Brucei Inosine-Adenosine- Guanosine Nucleoside Hydrolase in Complex with Compound Uamc-00312 and Allosterically Inhibited By A NI2+ Ion

All present enzymatic activity of Crystal Structure of the Trypanosoma Brucei Inosine-Adenosine- Guanosine Nucleoside Hydrolase in Complex with Compound Uamc-00312 and Allosterically Inhibited By A NI2+ Ion:
3.2.2.1;

Protein crystallography data

The structure of Crystal Structure of the Trypanosoma Brucei Inosine-Adenosine- Guanosine Nucleoside Hydrolase in Complex with Compound Uamc-00312 and Allosterically Inhibited By A NI2+ Ion, PDB code: 4i74 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) 42.91 / 1.68
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 60.120, 69.420, 130.230, 90.00, 90.00, 90.00
R / Rfree (%) 15 / 18.8

Other elements in 4i74:

The structure of Crystal Structure of the Trypanosoma Brucei Inosine-Adenosine- Guanosine Nucleoside Hydrolase in Complex with Compound Uamc-00312 and Allosterically Inhibited By A NI2+ Ion also contains other interesting chemical elements:

Nickel (Ni) 8 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 Compound Uamc-00312 and Allosterically Inhibited By A NI2+ Ion (pdb code 4i74). 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 Compound Uamc-00312 and Allosterically Inhibited By A NI2+ Ion, PDB code: 4i74:

Calcium binding site 1 out of 1 in 4i74

Go back to Calcium Binding Sites List in 4i74
Calcium binding site 1 out of 1 in the Crystal Structure of the Trypanosoma Brucei Inosine-Adenosine- Guanosine Nucleoside Hydrolase in Complex with Compound Uamc-00312 and Allosterically Inhibited By A NI2+ Ion


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 Compound Uamc-00312 and Allosterically Inhibited By A NI2+ Ion within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca401

b:13.2
occ:1.00
 O A:THR137 2.3 12.4 1.0
OD1 A:ASP10 2.3 13.6 1.0
O A:HOH742 2.3 2.9 0.2
OD2 A:ASP261 2.4 12.2 1.0
OD2 A:ASP15 2.5 13.2 1.0
O2' A:MBY408 2.5 15.1 0.8
OD1 A:ASP15 2.6 13.7 1.0
O A:HOH527 2.6 13.9 1.0
O3' A:MBY408 2.7 12.5 0.8
O1 A:TRS409 2.8 5.4 0.2
CG A:ASP15 2.8 13.8 1.0
C A:THR137 3.4 11.2 1.0
CG A:ASP261 3.4 14.2 1.0
CG A:ASP10 3.5 12.5 1.0
NI A:NI406 3.5 7.2 0.2
C2' A:MBY408 3.6 13.7 0.8
C3' A:MBY408 3.7 13.2 0.8
OD1 A:ASP261 3.7 15.1 1.0
OD1 A:ASP14 3.7 9.6 0.2
OD2 A:ASP10 4.0 12.4 1.0
OD2 A:ASP14 4.1 6.8 0.2
C1 A:TRS409 4.1 6.8 0.2
O3 A:TRS409 4.1 5.9 0.2
N A:GLY138 4.1 12.1 1.0
CA A:GLY138 4.2 12.0 1.0
CG A:ASP14 4.2 11.4 0.2
CB A:ASP15 4.3 11.6 1.0
CB A:THR137 4.3 11.9 1.0
N4' A:MBY408 4.4 15.0 0.8
CA A:THR137 4.4 12.3 1.0
OD1 A:ASP14 4.4 17.0 0.8
C4' A:MBY408 4.5 14.8 0.8
OG1 A:THR137 4.5 11.5 1.0
C1' A:MBY408 4.5 15.8 0.8
OD1 A:ASN186 4.5 15.8 1.0
N A:ASP10 4.5 11.6 1.0
ND2 A:ASN186 4.5 14.8 1.0
CB A:ASN12 4.6 16.4 1.0
CB A:ASP10 4.7 12.0 1.0
CB A:ASP261 4.8 13.7 1.0
N A:ASP15 4.8 12.3 1.0
CA A:ASP15 4.9 12.3 1.0
CA A:ASP10 4.9 11.8 1.0
N A:ASN12 5.0 15.4 1.0
C A:ASP10 5.0 11.9 1.0
CG A:ASN186 5.0 15.3 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 08:03:09 2024

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