Magnesium in PDB 456d: Molecular and Crystal Structure of D(CGCGMO6AATCCGCG): the Watson-Crick Type N6-Methoxyadenosine/Cytidine Base-Pairs in B-Dna

The structure of Molecular and Crystal Structure of D(CGCGMO6AATCCGCG): the Watson-Crick Type N6-Methoxyadenosine/Cytidine Base-Pairs in B-Dna, PDB code: 456d was solved by T.Chatake, A.Ono, 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)	5.00 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	25.100, 39.900, 65.800, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 23.1

The binding sites of Magnesium atom in the Molecular and Crystal Structure of D(CGCGMO6AATCCGCG): the Watson-Crick Type N6-Methoxyadenosine/Cytidine Base-Pairs in B-Dna (pdb code 456d). 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(CGCGMO6AATCCGCG): the Watson-Crick Type N6-Methoxyadenosine/Cytidine Base-Pairs in B-Dna, PDB code: 456d:

Magnesium binding site 1 out of 1 in the Molecular and Crystal Structure of D(CGCGMO6AATCCGCG): the Watson-Crick Type N6-Methoxyadenosine/Cytidine Base-Pairs 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(CGCGMO6AATCCGCG): the Watson-Crick Type N6-Methoxyadenosine/Cytidine Base-Pairs in B-Dna within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg25 b:15.8 occ:1.00 O B:HOH195 2.0 16.8 1.0 O A:HOH196 2.1 17.0 1.0 O A:HOH193 2.1 16.0 1.0 O B:HOH197 2.1 14.5 1.0 O B:HOH198 2.1 14.8 1.0 O B:HOH194 2.1 16.3 1.0 O A:HOH58 4.1 17.8 1.0 O B:HOH44 4.2 20.8 1.0 O6 B:DG22 4.3 14.0 1.0 O B:HOH78 4.4 19.6 1.0 C5 A:DC1 4.5 11.4 1.0 N7 A:DG2 4.5 11.9 1.0 O6 A:DG2 4.5 11.0 1.0 C6 A:DC1 4.8 11.4 1.0

T.Chatake, A.Ono, Y.Ueno, A.Matsuda, A.Takenaka. Crystallographic Studies on Damaged Dnas. I. An N(6)-Methoxyadenine Residue Forms A Watson-Crick Pair with A Cytosine Residue in A B-Dna Duplex. J.Mol.Biol. V. 294 1215 1999.
ISSN: ISSN 0022-2836
PubMed: 10600379
DOI: 10.1006/JMBI.1999.3303