Magnesium in PDB 1r3g: 1.16A X-Ray Structure of the Synthetic Dna Fragment with the Incorporated 2'-O-[(2-Guanidinium)Ethyl]-5-Methyluridine Residues

The structure of 1.16A X-Ray Structure of the Synthetic Dna Fragment with the Incorporated 2'-O-[(2-Guanidinium)Ethyl]-5-Methyluridine Residues, PDB code: 1r3g was solved by T.P.Prakash, A.Puschl, E.Lesnik, V.Tereshko, M.Egli, M.Manoharan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.16
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	25.111, 43.151, 45.558, 90.00, 90.00, 90.00
R / Rfree (%)	13.2 / 17.4

The binding sites of Magnesium atom in the 1.16A X-Ray Structure of the Synthetic Dna Fragment with the Incorporated 2'-O-[(2-Guanidinium)Ethyl]-5-Methyluridine Residues (pdb code 1r3g). 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 1.16A X-Ray Structure of the Synthetic Dna Fragment with the Incorporated 2'-O-[(2-Guanidinium)Ethyl]-5-Methyluridine Residues, PDB code: 1r3g:

Magnesium binding site 1 out of 1 in the 1.16A X-Ray Structure of the Synthetic Dna Fragment with the Incorporated 2'-O-[(2-Guanidinium)Ethyl]-5-Methyluridine Residues


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of 1.16A X-Ray Structure of the Synthetic Dna Fragment with the Incorporated 2'-O-[(2-Guanidinium)Ethyl]-5-Methyluridine Residues within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg101 b:33.2 occ:1.00 O B:HOH107 1.9 38.9 1.0 O A:HOH102 1.9 25.4 1.0 O B:HOH103 2.0 32.9 1.0 O A:HOH105 2.0 33.9 1.0 O A:HOH106 2.2 32.9 1.0 O A:HOH104 2.2 27.9 1.0 O B:HOH297 3.5 79.6 0.5 O B:HOH221 3.8 30.3 1.0 O6 A:DG3 4.0 18.6 1.0 O A:HOH240 4.0 33.8 1.0 O B:HOH318 4.0 33.0 0.5 N7 A:DG3 4.1 19.5 1.0 O A:HOH211 4.1 26.0 1.0 O B:HOH297 4.1 34.2 0.5 O B:HOH236 4.3 36.4 1.0 O A:HOH249 4.5 35.8 1.0 O4 B:GMU16 4.5 17.6 1.0 O B:HOH228 4.5 33.1 1.0 O4 A:DT4 4.6 17.1 1.0 C6 A:DG3 4.7 18.4 1.0 C5 A:DG3 4.7 18.4 1.0 N6 A:DA5 4.8 17.6 1.0 O B:HOH285 4.8 37.6 1.0 N4 A:DC2 4.9 20.1 1.0

T.P.Prakash, E.Lesnik, V.Mohan, V.Tereshko, M.Egli, M.Manoharan. 2'-O-[2-(Guanidinium)Ethyl]-Modified Oligonucleotides: Stabilizing Effect on Duplex and Triplex Structures. Org.Lett. V. 6 1971 2004.
ISSN: ISSN 1523-7060
PubMed: 15176796
DOI: 10.1021/OL0493249