Magnesium in PDB 1rqy: 9-Amino-[N-(2-Dimethylamino)Proply]-Acridine-4-Carboxamide Bound to D(Cgtacg)2

The structure of 9-Amino-[N-(2-Dimethylamino)Proply]-Acridine-4-Carboxamide Bound to D(Cgtacg)2, PDB code: 1rqy was solved by A.Adams, J.M.Guss, W.A.Denny, L.P.Wakelin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.55
Space group	C 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	28.745, 52.124, 40.745, 90.00, 90.00, 90.00
R / Rfree (%)	22.7 / 28.6

The structure of 9-Amino-[N-(2-Dimethylamino)Proply]-Acridine-4-Carboxamide Bound to D(Cgtacg)2 also contains other interesting chemical elements:

Cobalt

(Co)

2 atoms

The binding sites of Magnesium atom in the 9-Amino-[N-(2-Dimethylamino)Proply]-Acridine-4-Carboxamide Bound to D(Cgtacg)2 (pdb code 1rqy). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the 9-Amino-[N-(2-Dimethylamino)Proply]-Acridine-4-Carboxamide Bound to D(Cgtacg)2, PDB code: 1rqy:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the 9-Amino-[N-(2-Dimethylamino)Proply]-Acridine-4-Carboxamide Bound to D(Cgtacg)2


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of 9-Amino-[N-(2-Dimethylamino)Proply]-Acridine-4-Carboxamide Bound to D(Cgtacg)2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg903 b:23.5 occ:0.50 OP2 B:DG2 1.7 39.3 1.0 O B:HOH926 2.2 19.7 0.2 P B:DG2 3.2 38.6 1.0 O5' B:DG2 3.9 38.2 1.0 O3' B:DC1 4.0 39.9 1.0 OP1 B:DG2 4.2 41.9 1.0 C5' B:DG2 4.3 21.6 1.0 O4' B:DG2 4.5 25.1 1.0 N1 B:7AD401 4.8 21.2 0.2

Magnesium binding site 2 out of 2 in the 9-Amino-[N-(2-Dimethylamino)Proply]-Acridine-4-Carboxamide Bound to D(Cgtacg)2


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of 9-Amino-[N-(2-Dimethylamino)Proply]-Acridine-4-Carboxamide Bound to D(Cgtacg)2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg904 b:13.2 occ:0.50 OP1 B:DG6 2.4 17.8 1.0 P B:DG6 3.8 13.1 1.0 C5' B:DG6 4.4 14.7 1.0 O3' B:DC5 4.4 10.1 1.0 O5' B:DG6 4.5 11.0 1.0 OP2 B:DG6 4.9 16.6 1.0

A.Adams, J.M.Guss, W.A.Denny, L.P.Wakelin. Structure of 9-Amino-[N-(2-Dimethylamino)Propyl]Acridine-4- Carboxamide Bound to D(Cgtacg)(2): A Comparison of Structures of D(Cgtacg)(2) Complexed with Intercalatorsin the Presence of Cobalt. Acta Crystallogr.,Sect.D V. 60 823 2004.
ISSN: ISSN 0907-4449
PubMed: 15103127
DOI: 10.1107/S0907444904003907