Magnesium in PDB 1j8l: Molecular and Crystal Structure of D(CGCAAATTMO4CGCG): the Watson-Crick Type N4-Methoxycytidine/Adenosine Base Pair in B-Dna

The structure of Molecular and Crystal Structure of D(CGCAAATTMO4CGCG): the Watson-Crick Type N4-Methoxycytidine/Adenosine Base Pair in B-Dna, PDB code: 1j8l was solved by M.T.Hossain, T.Sunami, M.Tsunoda, T.Hikima, T.Chatake, Y.Ueno, A.Matsuda, A.Takenaka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	24.800, 40.300, 65.500, 90.00, 90.00, 90.00
R / Rfree (%)	21.8 / 25.8

The binding sites of Magnesium atom in the Molecular and Crystal Structure of D(CGCAAATTMO4CGCG): the Watson-Crick Type N4-Methoxycytidine/Adenosine Base Pair in B-Dna (pdb code 1j8l). 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 Molecular and Crystal Structure of D(CGCAAATTMO4CGCG): the Watson-Crick Type N4-Methoxycytidine/Adenosine Base Pair in B-Dna, PDB code: 1j8l:

Magnesium binding site 1 out of 1 in the Molecular and Crystal Structure of D(CGCAAATTMO4CGCG): the Watson-Crick Type N4-Methoxycytidine/Adenosine Base Pair in B-Dna


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Molecular and Crystal Structure of D(CGCAAATTMO4CGCG): the Watson-Crick Type N4-Methoxycytidine/Adenosine Base Pair in B-Dna within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg106 b:29.7 occ:1.00 O A:HOH107 2.1 28.3 1.0 O A:HOH110 2.1 28.6 1.0 O A:HOH109 2.1 28.7 1.0 O A:HOH108 2.1 30.3 1.0 O B:HOH107 2.1 29.0 1.0 O B:HOH108 2.1 27.6 1.0 O6 B:DG22 4.2 23.8 1.0 O A:HOH147 4.2 35.7 1.0 O B:HOH159 4.3 31.9 1.0 C5 A:DC1 4.4 24.6 1.0 O6 A:DG2 4.4 22.2 1.0 N7 A:DG2 4.5 23.6 1.0 C6 A:DC1 4.7 23.5 1.0

M.T.Hossain, T.Sunami, M.Tsunoda, T.Hikima, T.Chatake, Y.Ueno, A.Matsuda, A.Takenaka. Crystallographic Studies on Damaged Dnas IV. N(4)-Methoxycytosine Shows A Second Face For Watson-Crick Base-Pairing, Leading to Purine Transition Mutagenesis. Nucleic Acids Res. V. 29 3949 2001.
ISSN: ISSN 0305-1048
PubMed: 11574676