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Calcium in PDB 1kie: Inosine-Adenosine-Guanosine Preferring Nucleoside Hydrolase From Trypanosoma Vivax: ASP10ALA Mutant in Complex with 3- Deaza-Adenosine

Enzymatic activity of Inosine-Adenosine-Guanosine Preferring Nucleoside Hydrolase From Trypanosoma Vivax: ASP10ALA Mutant in Complex with 3- Deaza-Adenosine

All present enzymatic activity of Inosine-Adenosine-Guanosine Preferring Nucleoside Hydrolase From Trypanosoma Vivax: ASP10ALA Mutant in Complex with 3- Deaza-Adenosine:
3.2.2.1;

Protein crystallography data

The structure of Inosine-Adenosine-Guanosine Preferring Nucleoside Hydrolase From Trypanosoma Vivax: ASP10ALA Mutant in Complex with 3- Deaza-Adenosine, PDB code: 1kie was solved by W.Versees, K.Decanniere, E.Van Holsbeke, N.Devroede, J.Steyaert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 53.270, 72.960, 71.530, 90.00, 98.18, 90.00
R / Rfree (%) 15.6 / 21.5

Other elements in 1kie:

The structure of Inosine-Adenosine-Guanosine Preferring Nucleoside Hydrolase From Trypanosoma Vivax: ASP10ALA Mutant in Complex with 3- Deaza-Adenosine also contains other interesting chemical elements:

Nickel (Ni) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Inosine-Adenosine-Guanosine Preferring Nucleoside Hydrolase From Trypanosoma Vivax: ASP10ALA Mutant in Complex with 3- Deaza-Adenosine (pdb code 1kie). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Inosine-Adenosine-Guanosine Preferring Nucleoside Hydrolase From Trypanosoma Vivax: ASP10ALA Mutant in Complex with 3- Deaza-Adenosine, PDB code: 1kie:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in 1kie

Go back to Calcium Binding Sites List in 1kie
Calcium binding site 1 out of 2 in the Inosine-Adenosine-Guanosine Preferring Nucleoside Hydrolase From Trypanosoma Vivax: ASP10ALA Mutant in Complex with 3- Deaza-Adenosine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Inosine-Adenosine-Guanosine Preferring Nucleoside Hydrolase From Trypanosoma Vivax: ASP10ALA Mutant in Complex with 3- Deaza-Adenosine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca328

b:31.2
occ:1.00
 OD2 A:ASP261 2.3 20.1 1.0
O A:THR137 2.4 15.3 1.0
O A:HOH809 2.4 27.3 1.0
O3' A:AD3801 2.4 28.2 1.0
OD2 A:ASP15 2.5 17.3 1.0
OD1 A:ASP15 2.6 17.3 1.0
CG A:ASP15 2.8 18.4 1.0
O2' A:AD3801 2.9 42.8 1.0
CG A:ASP261 3.2 25.2 1.0
C A:THR137 3.4 17.0 1.0
OD1 A:ASP261 3.5 30.2 1.0
C2' A:AD3801 3.6 39.2 1.0
C3' A:AD3801 3.7 38.7 1.0
OD1 A:ASP40 4.0 42.1 1.0
OD2 A:ASP14 4.0 29.5 0.5
CB A:ALA10 4.1 21.7 1.0
CB A:THR137 4.1 22.7 1.0
CB A:ASP15 4.2 14.2 1.0
N A:GLY138 4.3 16.6 1.0
OG1 A:THR137 4.3 21.4 1.0
CA A:GLY138 4.3 13.3 1.0
CA A:THR137 4.3 15.4 1.0
ND2 A:ASN186 4.3 21.2 1.0
C1' A:AD3801 4.4 40.5 1.0
OD1 A:ASN186 4.4 20.4 1.0
CB A:ASP261 4.5 22.6 1.0
CG A:ASP14 4.5 26.1 0.5
O4' A:AD3801 4.5 37.2 1.0
N A:ALA10 4.6 18.3 1.0
OD1 A:ASP14 4.6 27.7 0.5
N A:ASP15 4.6 15.2 1.0
CA A:ASP15 4.6 16.0 1.0
CG A:ASP40 4.7 44.5 1.0
CA A:ALA10 4.8 17.2 1.0
CG A:ASN186 4.8 22.6 1.0
OD2 A:ASP40 4.8 42.4 1.0
C4' A:AD3801 4.9 33.0 1.0
CB A:ASN12 4.9 23.7 1.0

Calcium binding site 2 out of 2 in 1kie

Go back to Calcium Binding Sites List in 1kie
Calcium binding site 2 out of 2 in the Inosine-Adenosine-Guanosine Preferring Nucleoside Hydrolase From Trypanosoma Vivax: ASP10ALA Mutant in Complex with 3- Deaza-Adenosine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Inosine-Adenosine-Guanosine Preferring Nucleoside Hydrolase From Trypanosoma Vivax: ASP10ALA Mutant in Complex with 3- Deaza-Adenosine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca328

b:34.6
occ:1.00
 OD2 B:ASP261 2.3 28.5 1.0
O B:HOH814 2.4 34.0 1.0
OD2 B:ASP15 2.4 21.2 1.0
O B:THR137 2.4 19.6 1.0
OD1 B:ASP15 2.6 21.2 1.0
O3' B:AD3802 2.7 29.0 1.0
CG B:ASP15 2.8 23.1 1.0
O2' B:AD3802 2.8 31.0 1.0
CG B:ASP261 3.2 26.1 1.0
OD1 B:ASP261 3.4 23.5 1.0
C B:THR137 3.5 20.0 1.0
C2' B:AD3802 3.6 28.8 1.0
C3' B:AD3802 3.7 29.4 1.0
OD2 B:ASP14 4.0 28.8 0.5
CB B:ALA10 4.1 19.4 1.0
CB B:ASP15 4.2 15.5 1.0
CB B:THR137 4.2 17.1 1.0
OG1 B:THR137 4.2 22.3 1.0
CA B:GLY138 4.2 20.4 1.0
OD2 B:ASP40 4.2 65.9 1.0
N B:GLY138 4.3 17.8 1.0
OD1 B:ASN186 4.3 19.0 1.0
ND2 B:ASN186 4.4 18.7 1.0
CA B:THR137 4.5 22.4 1.0
CG B:ASP40 4.5 60.6 1.0
N B:ALA10 4.5 16.2 1.0
C4' B:AD3802 4.5 28.4 1.0
C1' B:AD3802 4.5 26.4 1.0
OD1 B:ASP40 4.5 56.3 1.0
CB B:ASN12 4.6 21.6 1.0
CB B:ASP261 4.6 22.7 1.0
CG B:ASP14 4.6 27.8 0.5
O4' B:AD3802 4.6 25.2 1.0
N B:ASP15 4.6 18.5 1.0
OD1 B:ASP14 4.6 26.6 0.5
CA B:ASP15 4.6 14.6 1.0
CA B:ALA10 4.8 19.9 1.0
CG B:ASN186 4.8 21.3 1.0
N B:ASN12 4.9 25.1 1.0

Reference:

W.Versees, K.Decanniere, E.Van Holsbeke, N.Devroede, J.Steyaert. Enzyme-Substrate Interactions in the Purine-Specific Nucleoside Hydrolase From Trypanosoma Vivax. J.Biol.Chem. V. 277 15938 2002.
ISSN: ISSN 0021-9258
PubMed: 11854281
DOI: 10.1074/JBC.M111735200
Page generated: Thu Jul 11 11:23:22 2024

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