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Chlorine in PDB 2aa0: Crystal Structure of T. Gondii Adenosine Kinase Complexed with 6-Methylmercaptopurine Riboside

Enzymatic activity of Crystal Structure of T. Gondii Adenosine Kinase Complexed with 6-Methylmercaptopurine Riboside

All present enzymatic activity of Crystal Structure of T. Gondii Adenosine Kinase Complexed with 6-Methylmercaptopurine Riboside:
2.7.1.20;

Protein crystallography data

The structure of Crystal Structure of T. Gondii Adenosine Kinase Complexed with 6-Methylmercaptopurine Riboside, PDB code: 2aa0 was solved by Y.Zhang, M.H.El Kouni, S.E.Ealick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.45 / 1.75
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 60.348, 61.701, 91.958, 90.00, 90.00, 90.00
R / Rfree (%) 20.4 / 24

Other elements in 2aa0:

The structure of Crystal Structure of T. Gondii Adenosine Kinase Complexed with 6-Methylmercaptopurine Riboside also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of T. Gondii Adenosine Kinase Complexed with 6-Methylmercaptopurine Riboside (pdb code 2aa0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of T. Gondii Adenosine Kinase Complexed with 6-Methylmercaptopurine Riboside, PDB code: 2aa0:

Chlorine binding site 1 out of 1 in 2aa0

Go back to Chlorine Binding Sites List in 2aa0
Chlorine binding site 1 out of 1 in the Crystal Structure of T. Gondii Adenosine Kinase Complexed with 6-Methylmercaptopurine Riboside


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of T. Gondii Adenosine Kinase Complexed with 6-Methylmercaptopurine Riboside within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl2001

b:21.8
occ:1.00
 OG1 A:THR167 3.0 18.7 1.0
O A:HOH3005 3.1 21.8 1.0
N A:ASN20 3.3 20.0 1.0
N A:ALA71 3.3 21.7 1.0
C2 A:MTP1001 3.5 20.7 1.0
CB A:ALA71 3.6 25.0 1.0
CA A:GLY19 3.7 18.5 1.0
N A:SER70 3.9 25.2 1.0
CG2 A:THR167 3.9 18.3 1.0
CB A:SER70 3.9 21.0 1.0
CB A:THR167 4.0 20.3 1.0
C A:GLY19 4.0 20.6 1.0
CA A:ALA71 4.1 24.2 1.0
N3 A:MTP1001 4.1 23.3 1.0
CB A:ASN20 4.2 18.1 1.0
CB A:TYR169 4.2 24.6 1.0
CA A:SER70 4.2 22.4 1.0
O A:ASN20 4.2 22.9 1.0
C A:SER70 4.2 21.6 1.0
CA A:ASN20 4.2 20.2 1.0
CD1 A:TYR169 4.4 23.5 1.0
ND2 A:ASN20 4.4 19.6 1.0
N1 A:MTP1001 4.4 23.8 1.0
CG A:ASN20 4.5 22.5 1.0
C A:ASN20 4.6 20.0 1.0
C A:GLY69 4.7 26.1 1.0
CG2 A:THR170 4.7 18.4 1.0
CG A:TYR169 4.8 23.2 1.0
OG A:SER70 4.8 21.4 1.0

Reference:

Y.Zhang, M.H.El Kouni, S.E.Ealick. Substrate Analogs Induce An Intermediate Conformational Change in Toxoplasma Gondii Adenosine Kinase Acta Crystallogr.,Sect.D V. 63 126 2007.
ISSN: ISSN 0907-4449
PubMed: 17242506
DOI: 10.1107/S0907444906043654
Page generated: Sat Jul 20 05:10:49 2024

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