Magnesium 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 / R_free (%)*	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:

Iodine	(I)	1 atom
Chlorine	(Cl)	1 atom

Magnesium Binding Sites:

The binding sites of Magnesium 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 Magnesium atom.
In total only one binding site of Magnesium was determined in the Structure of T. Gondii Adenosine Kinase Bound to Prodrug 2 7-Iodotubercidin and Amp-Pcp, PDB code: 1lij:

Magnesium binding site 1 out of 1 in 1lij

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Magnesium Binding Sites List in 1lij

Magnesium 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 Magnesium with other atoms in the Mg 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:Mg999 b:27.3 occ:1.00	O1B	A:ACP799	2.0	49.4	1.0
	PB	A:ACP799	2.8	47.6	1.0
	O3A	A:ACP799	2.9	46.9	1.0
	O1A	A:ACP799	3.4	44.2	1.0
	O	A:HOH1122	3.4	63.8	1.0
	PA	A:ACP799	3.7	42.8	1.0
	O2B	A:ACP799	3.7	49.0	1.0
	CB	A:THR313	3.9	32.3	1.0
	OG1	A:THR313	4.0	27.7	1.0
	O	A:HOH1000	4.2	20.4	1.0
	C3B	A:ACP799	4.3	51.0	1.0
	CG2	A:THR313	4.3	42.1	1.0
	O	A:HOH1069	4.4	39.5	1.0
	O5'	A:ACP799	4.5	41.4	1.0
	O2A	A:ACP799	4.8	44.1	1.0
	O	A:THR313	4.8	27.4	1.0
	C8	A:ACP799	4.9	30.2	1.0
	N7	A:ACP799	5.0	30.2	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: Mon Dec 14 06:23:24 2020

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