Magnesium in PDB 1nr8: The Crystal Structure of A D-Lysine-Based Chiral Pna-Dna Duplex

The structure of The Crystal Structure of A D-Lysine-Based Chiral Pna-Dna Duplex, PDB code: 1nr8 was solved by V.Menchise, G.De Simone, T.Tedeschi, R.Corradini, S.Sforza, R.Marchelli, D.Capasso, M.Saviano, C.Pedone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.66
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	34.940, 34.940, 35.800, 90.00, 90.00, 120.00
R / Rfree (%)	19.7 / 22.8

The binding sites of Magnesium atom in the The Crystal Structure of A D-Lysine-Based Chiral Pna-Dna Duplex (pdb code 1nr8). 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 The Crystal Structure of A D-Lysine-Based Chiral Pna-Dna Duplex, PDB code: 1nr8:

Magnesium binding site 1 out of 1 in the The Crystal Structure of A D-Lysine-Based Chiral Pna-Dna Duplex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Crystal Structure of A D-Lysine-Based Chiral Pna-Dna Duplex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg9001 b:35.3 occ:1.00 O B:HOH9017 2.8 26.7 1.0 N3 B:GPN4 2.9 20.2 1.0 N1' B:A665 3.1 21.4 1.0 C8' B:GPN4 3.3 21.3 1.0 C7' B:GPN4 3.4 22.8 1.0 N4' B:GPN4 3.5 23.4 1.0 C3' B:GPN4 3.5 24.5 1.0 O B:HOH9024 3.6 44.0 1.0 C2' B:A665 3.7 19.4 1.0 C8' B:A665 3.7 19.6 1.0 C3' B:A665 3.7 20.3 1.0 C2 B:GPN4 3.7 20.7 1.0 C4 B:GPN4 3.8 19.8 1.0 N2 B:GPN4 3.8 21.4 1.0 N9 B:GPN4 4.0 18.4 1.0 O7' B:GPN4 4.0 22.1 1.0 C' B:GPN4 4.2 21.8 1.0 O2 A:DT8 4.3 29.1 1.0 C5' B:GPN4 4.3 23.1 1.0 O A:HOH37 4.6 35.0 1.0 N4' B:A665 4.7 18.8 1.0 N9 B:A665 4.7 19.1 1.0 C7' B:A665 4.7 20.0 1.0

V.Menchise, G.De Simone, T.Tedeschi, R.Corradini, S.Sforza, R.Marchelli, D.Capasso, M.Saviano, C.Pedone. Insights Into Peptide Nucleic Acid (Pna) Structural Features: the Crystal Structure of A D-Lysine-Based Chiral Pna-Dna Duplex Proc.Natl.Acad.Sci.Usa V. 100 12021 2003.
ISSN: ISSN 0027-8424
PubMed: 14512516
DOI: 10.1073/PNAS.2034746100