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Calcium in PDB 4i75: Crystal Structure of the Trypanosoma Brucei Inosine-Adenosine- Guanosine Nucleoside Hydrolase in Complex with the Nitris Metalorganic Complex

Enzymatic activity of Crystal Structure of the Trypanosoma Brucei Inosine-Adenosine- Guanosine Nucleoside Hydrolase in Complex with the Nitris Metalorganic Complex

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

Protein crystallography data

The structure of Crystal Structure of the Trypanosoma Brucei Inosine-Adenosine- Guanosine Nucleoside Hydrolase in Complex with the Nitris Metalorganic Complex, PDB code: 4i75 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) 48.80 / 1.80
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 70.700, 134.890, 60.990, 90.00, 90.00, 90.00
R / Rfree (%) 18 / 22.3

Other elements in 4i75:

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

Nickel (Ni) 9 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 the Nitris Metalorganic Complex (pdb code 4i75). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of the Trypanosoma Brucei Inosine-Adenosine- Guanosine Nucleoside Hydrolase in Complex with the Nitris Metalorganic Complex, PDB code: 4i75:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 4i75

Go back to Calcium Binding Sites List in 4i75
Calcium binding site 1 out of 2 in the Crystal Structure of the Trypanosoma Brucei Inosine-Adenosine- Guanosine Nucleoside Hydrolase in Complex with the Nitris Metalorganic Complex


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 the Nitris Metalorganic Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca401

b:9.0
occ:1.00
 OD1 A:ASP10 2.3 11.1 1.0
O A:THR137 2.4 12.2 1.0
OD2 A:ASP261 2.4 9.5 1.0
O A:HOH521 2.4 7.4 1.0
OD1 A:ASP15 2.5 12.2 1.0
OD2 A:ASP15 2.5 10.3 1.0
O A:HOH697 2.5 9.1 1.0
CG A:ASP15 2.8 9.5 1.0
O1 A:TRS403 3.2 13.6 1.0
CG A:ASP10 3.4 11.4 1.0
C A:THR137 3.4 11.6 1.0
CG A:ASP261 3.5 11.3 1.0
NI A:NI402 3.8 9.8 1.0
OD2 A:ASP10 3.8 12.2 1.0
OD1 A:ASP261 3.9 11.5 1.0
OD1 A:ASP14 3.9 11.8 1.0
N A:GLY138 4.1 12.0 1.0
CA A:GLY138 4.1 12.3 1.0
OD2 A:ASP14 4.3 12.0 1.0
CB A:ASP15 4.3 9.2 1.0
O3 A:TRS403 4.3 16.3 1.0
CG A:ASP14 4.4 12.7 1.0
CB A:THR137 4.4 12.3 1.0
OG1 A:THR137 4.4 12.3 1.0
N A:ASP10 4.5 11.0 1.0
CA A:THR137 4.5 11.0 1.0
C1 A:TRS403 4.5 15.2 1.0
OD2 A:ASP40 4.6 13.9 1.0
CB A:ASP10 4.6 10.8 1.0
OD1 A:ASN186 4.7 15.8 1.0
ND2 A:ASN186 4.7 11.1 1.0
N A:ASP15 4.7 10.9 1.0
CB A:ASP261 4.7 11.6 1.0
CB A:ASP40 4.8 12.4 1.0
CA A:ASP10 4.8 10.4 1.0
CA A:ASP15 4.9 10.4 1.0
C A:ASP10 4.9 11.0 1.0

Calcium binding site 2 out of 2 in 4i75

Go back to Calcium Binding Sites List in 4i75
Calcium binding site 2 out of 2 in the Crystal Structure of the Trypanosoma Brucei Inosine-Adenosine- Guanosine Nucleoside Hydrolase in Complex with the Nitris Metalorganic Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of the Trypanosoma Brucei Inosine-Adenosine- Guanosine Nucleoside Hydrolase in Complex with the Nitris Metalorganic Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca408

b:10.6
occ:1.00
 O B:HOH699 2.4 5.4 1.0
OD1 B:ASP10 2.4 11.9 1.0
OD2 B:ASP261 2.4 11.8 1.0
O B:THR137 2.5 13.6 1.0
OD1 B:ASP15 2.5 13.9 1.0
O B:HOH507 2.5 9.7 1.0
OD2 B:ASP15 2.5 11.2 1.0
CG B:ASP15 2.8 12.3 1.0
O1 B:TRS410 3.2 14.7 1.0
CG B:ASP261 3.4 12.5 1.0
C B:THR137 3.5 13.1 1.0
CG B:ASP10 3.5 12.4 1.0
NI B:NI409 3.7 11.2 1.0
OD1 B:ASP261 3.8 14.9 1.0
OD1 B:ASP14 3.9 14.0 1.0
OD2 B:ASP10 3.9 12.8 1.0
N B:GLY138 4.1 14.0 1.0
CA B:GLY138 4.2 13.5 1.0
O3 B:TRS410 4.3 14.5 1.0
CB B:ASP15 4.3 10.8 1.0
CB B:THR137 4.3 14.2 1.0
OD2 B:ASP14 4.4 12.8 1.0
CG B:ASP14 4.4 12.8 1.0
OG1 B:THR137 4.5 13.0 1.0
CA B:THR137 4.5 13.3 1.0
N B:ASP10 4.5 13.2 1.0
OD2 B:ASP40 4.5 15.9 1.0
C1 B:TRS410 4.6 17.1 1.0
OD1 B:ASN186 4.7 17.2 1.0
ND2 B:ASN186 4.7 12.7 1.0
CB B:ASP261 4.7 13.2 1.0
CB B:ASP10 4.7 12.8 1.0
N B:ASP15 4.7 12.2 1.0
CB B:ASP40 4.8 13.5 1.0
CA B:ASP15 4.9 11.7 1.0
CA B:ASP10 4.9 12.2 1.0
C B:ASP10 4.9 12.3 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 08:03:11 2024

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