Magnesium in PDB 457d: Molecular and Crystal Structure of D(CGCGMO6AATTCGCG): N6- Methoxyadenosine/ Thymidine Base-Pairs in B-Dna

The structure of Molecular and Crystal Structure of D(CGCGMO6AATTCGCG): N6- Methoxyadenosine/ Thymidine Base-Pairs in B-Dna, PDB code: 457d 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 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	24.900, 39.500, 66.200, 90.00, 90.00, 90.00
R / Rfree (%)	23.2 / 28.5

The binding sites of Magnesium atom in the Molecular and Crystal Structure of D(CGCGMO6AATTCGCG): N6- Methoxyadenosine/ Thymidine Base-Pairs in B-Dna (pdb code 457d). 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(CGCGMO6AATTCGCG): N6- Methoxyadenosine/ Thymidine Base-Pairs in B-Dna, PDB code: 457d:

Magnesium binding site 1 out of 1 in the Molecular and Crystal Structure of D(CGCGMO6AATTCGCG): N6- Methoxyadenosine/ Thymidine 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(CGCGMO6AATTCGCG): N6- Methoxyadenosine/ Thymidine Base-Pairs in B-Dna within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg25 b:28.7 occ:1.00 O B:HOH92 2.0 32.3 1.0 O B:HOH93 2.0 32.7 1.0 O A:HOH91 2.0 30.6 1.0 O B:HOH95 2.1 28.3 1.0 O A:HOH94 2.1 27.6 1.0 O B:HOH96 2.1 28.6 1.0 O B:HOH87 4.2 30.4 1.0 C5 A:DC1 4.2 16.3 1.0 O B:HOH86 4.3 25.9 1.0 O A:HOH76 4.3 34.5 1.0 O B:HOH33 4.4 28.6 1.0 O A:HOH47 4.5 21.6 1.0 O6 B:DG22 4.6 27.3 1.0 N7 A:DG2 4.6 15.6 1.0 O6 A:DG2 4.6 19.9 1.0 C6 A:DC1 4.6 9.7 1.0

T.Chatake, T.Hikima, A.Ono, Y.Ueno, A.Matsuda, A.Takenaka. Crystallographic Studies on Damaged Dnas. II. N(6)-Methoxyadenine Can Present Two Alternate Faces For Watson-Crick Base-Pairing, Leading to Pyrimidine Transition Mutagenesis. J.Mol.Biol. V. 294 1223 1999.
ISSN: ISSN 0022-2836
PubMed: 10600380
DOI: 10.1006/JMBI.1999.3304