Cobalt 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:

Magnesium

(Mg)

2 atoms

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

Cobalt 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 Cobalt with other atoms in the Co 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 A:Co902 b:21.4 occ:1.00 O A:HOH923 2.1 20.7 1.0 O A:HOH920 2.1 22.0 1.0 O A:HOH922 2.1 15.6 0.5 O A:HOH921 2.2 20.5 1.0 N7 A:DG1 2.2 15.0 1.0 O A:HOH909 2.2 20.9 1.0 C8 A:DG1 3.0 15.2 1.0 C5 A:DG1 3.3 14.4 1.0 O6 A:DG1 3.7 12.9 1.0 C6 A:DG1 3.9 15.0 1.0 O A:HOH907 4.0 19.9 1.0 N9 A:DG1 4.3 13.5 1.0 OP1 A:DG1 4.3 26.2 1.0 O A:HOH928 4.3 29.4 1.0 O4 A:DT2 4.4 15.6 1.0 OP2 A:DG1 4.4 34.6 1.0 C4 A:DG1 4.4 10.1 1.0 C7 A:DT2 4.5 26.6 1.0 P A:DG1 4.8 31.4 1.0 C4 A:DT2 5.0 12.5 1.0

Cobalt 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 Cobalt with other atoms in the Co 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:Co901 b:13.3 occ:0.50 O B:HOH915 1.9 10.8 0.5 N7 B:DG6 2.1 11.9 1.0 O B:HOH911 2.3 19.4 1.0 C8 B:DG6 2.9 11.1 1.0 C5 B:DG6 3.3 12.4 1.0 O B:HOH905 3.4 9.2 0.5 O6 B:DG6 3.9 19.7 1.0 C6 B:DG6 4.0 12.4 1.0 OP2 B:DG6 4.1 16.6 1.0 N9 B:DG6 4.2 11.6 1.0 O B:HOH4036 4.4 23.4 1.0 C4 B:DG6 4.4 9.8 1.0 O B:HOH927 4.4 21.1 1.0 O B:HOH934 4.6 31.0 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