Atomistry » Nickel » PDB 4guh-4jz4 » 4i71
Atomistry »
  Nickel »
    PDB 4guh-4jz4 »
      4i71 »

Nickel 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:

Calcium (Ca) 1 atom

Nickel Binding Sites:

The binding sites of Nickel 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 Nickel atom.
In total 4 binding sites of Nickel where determined in the Crystal Structure of the Trypanosoma Brucei Inosine-Adenosine- Guanosine Nucleoside Hydrolase in Complex with A Trypanocidal Compound, PDB code: 4i71:
Jump to Nickel binding site number: 1; 2; 3; 4;

Nickel binding site 1 out of 4 in 4i71

Go back to Nickel Binding Sites List in 4i71
Nickel binding site 1 out of 4 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 Nickel with other atoms in the Ni 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:Ni403

b:12.1
occ:1.00
O1 A:TRS405 2.0 12.7 0.7
NE2 A:HIS58 2.0 11.4 1.0
O A:HOH501 2.1 14.8 1.0
N A:TRS405 2.1 10.1 0.7
O2 A:TRS405 2.1 10.7 0.7
O3 A:TRS405 2.3 21.0 0.3
O1 A:TRS405 2.3 18.0 0.3
O2 A:TRS405 2.4 20.1 0.3
C3 A:TRS405 2.6 20.7 0.3
C A:TRS405 2.7 14.2 0.7
C1 A:TRS405 2.8 15.3 0.7
C2 A:TRS405 2.9 13.3 0.7
C1 A:TRS405 3.0 19.6 0.3
C A:TRS405 3.0 20.0 0.3
CE1 A:HIS58 3.0 11.6 1.0
CD2 A:HIS58 3.1 10.8 1.0
C2 A:TRS405 3.2 19.2 0.3
O A:HOH687 4.1 21.1 1.0
NZ A:LYS62 4.1 16.5 0.7
ND1 A:HIS58 4.1 10.9 1.0
C3 A:TRS405 4.2 14.5 0.7
CG A:HIS58 4.2 9.9 1.0
O A:HOH719 4.3 30.6 1.0
CE A:LYS62 4.3 16.2 0.7
N A:TRS405 4.4 21.0 0.3
O A:HOH773 4.7 24.0 1.0

Nickel binding site 2 out of 4 in 4i71

Go back to Nickel Binding Sites List in 4i71
Nickel binding site 2 out of 4 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 Nickel with other atoms in the Ni binding site number 2 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:Ni404

b:20.5
occ:0.70
ND1 A:HIS0 1.9 20.0 1.0
N A:GLY-2 2.0 25.7 1.0
N A:SER-1 2.0 28.2 1.0
N A:HIS0 2.0 25.2 1.0
C A:SER-1 2.8 27.4 1.0
C A:GLY-2 2.8 28.6 1.0
CE1 A:HIS0 2.9 26.7 1.0
CG A:HIS0 2.9 23.6 1.0
CA A:GLY-2 2.9 28.6 1.0
CA A:SER-1 2.9 28.2 1.0
CA A:HIS0 3.0 25.4 1.0
CB A:HIS0 3.2 25.1 1.0
N A:MET1 3.7 24.1 1.0
OG A:SER-1 3.8 31.1 1.0
C A:HIS0 3.8 25.4 1.0
O A:HOH666 3.8 30.6 1.0
CB A:SER-1 3.9 30.3 1.0
NE2 A:HIS0 4.0 28.2 1.0
O A:SER-1 4.0 29.2 1.0
CD2 A:HIS0 4.0 27.7 1.0
O A:GLY-2 4.0 31.3 1.0
CG A:MET1 4.8 35.5 1.0
O A:HIS0 4.8 27.8 1.0
CA A:MET1 4.9 24.4 1.0

Nickel binding site 3 out of 4 in 4i71

Go back to Nickel Binding Sites List in 4i71
Nickel binding site 3 out of 4 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 Nickel with other atoms in the Ni binding site number 3 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:Ni406

b:36.2
occ:1.00
NE2 A:HIS115 2.0 18.4 1.0
CE1 A:HIS115 3.0 16.9 1.0
CD2 A:HIS115 3.1 16.5 1.0
ND1 A:HIS115 4.1 15.6 1.0
CG A:HIS115 4.2 15.0 1.0
O A:HOH625 4.2 25.2 1.0
O A:GLU111 4.8 19.2 1.0
CB A:PRO67 4.9 12.1 1.0

Nickel binding site 4 out of 4 in 4i71

Go back to Nickel Binding Sites List in 4i71
Nickel binding site 4 out of 4 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 Nickel with other atoms in the Ni binding site number 4 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:Ni407

b:36.8
occ:1.00
NE2 A:HIS317 2.1 20.4 1.0
O A:HOH701 2.2 33.1 1.0
O A:HOH656 2.2 33.4 1.0
CE1 A:HIS317 2.9 20.3 1.0
CD2 A:HIS317 3.1 20.2 1.0
ND1 A:HIS317 4.1 19.1 1.0
CG A:HIS317 4.2 17.6 1.0
O A:HOH631 4.7 26.6 1.0
CD1 A:PHE321 4.9 14.4 1.0
CE1 A:PHE321 5.0 15.4 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: Wed Oct 9 18:12:33 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy