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Iodine in PDB 1lij: Structure of T. Gondii Adenosine Kinase Bound to Prodrug 2 7-Iodotubercidin and Amp-Pcp

Enzymatic activity of Structure of T. Gondii Adenosine Kinase Bound to Prodrug 2 7-Iodotubercidin and Amp-Pcp

All present enzymatic activity of Structure of T. Gondii Adenosine Kinase Bound to Prodrug 2 7-Iodotubercidin and Amp-Pcp:
2.7.1.20;

Protein crystallography data

The structure of Structure of T. Gondii Adenosine Kinase Bound to Prodrug 2 7-Iodotubercidin and Amp-Pcp, PDB code: 1lij was solved by M.A.Schumacher, D.M.Scott, I.I.Mathews, S.E.Ealick, D.S.Roos, B.Ullman, R.G.Brennan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.86
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 167.700, 46.970, 44.090, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Other elements in 1lij:

The structure of Structure of T. Gondii Adenosine Kinase Bound to Prodrug 2 7-Iodotubercidin and Amp-Pcp also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Chlorine (Cl) 1 atom

Iodine Binding Sites:

The binding sites of Iodine atom in the Structure of T. Gondii Adenosine Kinase Bound to Prodrug 2 7-Iodotubercidin and Amp-Pcp (pdb code 1lij). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Structure of T. Gondii Adenosine Kinase Bound to Prodrug 2 7-Iodotubercidin and Amp-Pcp, PDB code: 1lij:

Iodine binding site 1 out of 1 in 1lij

Go back to Iodine Binding Sites List in 1lij
Iodine binding site 1 out of 1 in the Structure of T. Gondii Adenosine Kinase Bound to Prodrug 2 7-Iodotubercidin and Amp-Pcp


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Structure of T. Gondii Adenosine Kinase Bound to Prodrug 2 7-Iodotubercidin and Amp-Pcp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I699

b:17.0
occ:1.00
 I A:RPP699 0.0 17.0 1.0
C7 A:RPP699 2.0 14.6 1.0
N8 A:RPP699 2.9 14.8 1.0
C5 A:RPP699 3.0 13.7 1.0
OG1 A:THR140 3.3 20.6 1.0
O A:THR45 3.3 15.7 1.0
N6 A:RPP699 3.5 14.8 1.0
C6 A:RPP699 3.7 13.8 1.0
N A:THR45 3.8 16.3 1.0
CB A:THR140 3.9 15.0 1.0
C A:THR45 3.9 18.6 1.0
CE2 A:TYR169 4.1 13.5 1.0
OH A:TYR169 4.1 16.5 1.0
N9 A:RPP699 4.1 14.3 1.0
C4 A:RPP699 4.2 14.4 1.0
C A:ALA44 4.2 22.3 1.0
CZ A:TYR169 4.2 17.8 1.0
CA A:THR45 4.3 15.6 1.0
CB A:LEU138 4.3 10.5 1.0
N A:THR140 4.4 11.2 1.0
CB A:ALA44 4.4 17.1 1.0
O A:LEU138 4.5 14.2 1.0
CA A:ALA44 4.5 16.0 1.0
CD2 A:LEU46 4.6 19.8 1.0
CE2 A:PHE201 4.6 17.7 1.0
C A:LEU138 4.7 15.6 1.0
N A:LEU46 4.8 13.7 1.0
CG2 A:THR140 4.8 8.7 1.0
O A:ALA44 4.9 17.5 1.0
CA A:THR140 4.9 11.8 1.0
CD2 A:TYR169 4.9 12.5 1.0
N A:CYS139 5.0 11.7 1.0
CZ A:PHE201 5.0 17.5 1.0

Reference:

M.A.Schumacher, D.M.Scott, I.I.Mathews, S.E.Ealick, D.S.Roos, B.Ullman, R.G.Brennan. Crystal Structures of Toxoplasma Gondii Adenosine Kinase Reveal A Novel Catalytic Mechanism and Prodrug Binding. J.Mol.Biol. V. 298 875 2000.
ISSN: ISSN 0022-2836
PubMed: 10801355
DOI: 10.1006/JMBI.2000.3753
Page generated: Sun Dec 13 19:20:14 2020

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