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: Sat Dec 12 04:51:24 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy