Magnesium in PDB 1i3t: Molecular and Crystal Structure of D(Cgcgaatt(MO4)Cgcg): the Watson-Crick Type and Wobble N4- Methoxycytidine/Guanosine Base Pairs in B-Dna

The structure of Molecular and Crystal Structure of D(Cgcgaatt(MO4)Cgcg): the Watson-Crick Type and Wobble N4- Methoxycytidine/Guanosine Base Pairs in B-Dna, PDB code: 1i3t was solved by M.T.Hossain, T.Hikima, T.Chatake, T.Masaru, T.Sunami, 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 (°)	25.182, 40.877, 63.731, 90.00, 90.00, 90.00
R / Rfree (%)	22.4 / 25.6

The binding sites of Magnesium atom in the Molecular and Crystal Structure of D(Cgcgaatt(MO4)Cgcg): the Watson-Crick Type and Wobble N4- Methoxycytidine/Guanosine Base Pairs in B-Dna (pdb code 1i3t). 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(Cgcgaatt(MO4)Cgcg): the Watson-Crick Type and Wobble N4- Methoxycytidine/Guanosine Base Pairs in B-Dna, PDB code: 1i3t:

Magnesium binding site 1 out of 1 in the Molecular and Crystal Structure of D(Cgcgaatt(MO4)Cgcg): the Watson-Crick Type and Wobble N4- Methoxycytidine/Guanosine 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(Cgcgaatt(MO4)Cgcg): the Watson-Crick Type and Wobble N4- Methoxycytidine/Guanosine Base Pairs in B-Dna within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg105 b:19.1 occ:1.00 O A:HOH108 2.1 15.7 1.0 O B:HOH107 2.1 15.9 1.0 O B:HOH108 2.1 17.9 1.0 O A:HOH107 2.1 18.2 1.0 O A:HOH106 2.1 17.3 1.0 O B:HOH106 2.1 17.3 1.0 O B:HOH114 4.2 24.8 1.0 O A:HOH115 4.2 26.9 1.0 O6 B:DG22 4.3 15.3 1.0 O6 A:DG2 4.3 17.1 1.0 N7 A:DG2 4.4 16.6 1.0 C5 A:DC1 4.4 18.1 1.0 O B:HOH137 4.6 32.7 1.0 C6 A:DC1 4.9 17.7 1.0 O A:HOH119 5.0 22.6 1.0

M.T.Hossain, T.Chatake, T.Hikima, M.Tsunoda, T.Sunami, Y.Ueno, A.Matsuda, A.Takenaka. Crystallographic Studies on Damaged Dnas: III. N(4)-Methoxycytosine Can Form Both Watson-Crick Type and Wobbled Base Pairs in A B-Form Duplex. J.Biochem.(Tokyo) V. 130 9 2001.
ISSN: ISSN 0021-924X
PubMed: 11432773