Cobalt in PDB 1fn2: 9-Amino-(N-(2-Dimethylamino)Butyl)Acridine-4-Carboxamide Bound to D(Cgtacg)2

The structure of 9-Amino-(N-(2-Dimethylamino)Butyl)Acridine-4-Carboxamide Bound to D(Cgtacg)2, PDB code: 1fn2 was solved by A.Adams, J.M.Guss, C.A.Collyer, W.A.Denny, L.P.G.Wakelin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.60
Space group	C 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	28.964, 52.620, 40.455, 90.00, 90.00, 90.00
R / Rfree (%)	25.1 / 29.7

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

Sodium

(Na)

1 atom

The binding sites of Cobalt atom in the 9-Amino-(N-(2-Dimethylamino)Butyl)Acridine-4-Carboxamide Bound to D(Cgtacg)2 (pdb code 1fn2). 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)Butyl)Acridine-4-Carboxamide Bound to D(Cgtacg)2, PDB code: 1fn2:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the 9-Amino-(N-(2-Dimethylamino)Butyl)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)Butyl)Acridine-4-Carboxamide Bound to D(Cgtacg)2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Co4002 b:37.4 occ:1.00 O A:HOH4027 2.1 42.0 1.0 O A:HOH4026 2.1 36.4 1.0 N7 A:DG1002 2.1 24.1 1.0 O A:HOH4022 2.3 39.6 1.0 O A:HOH4023 2.4 36.8 1.0 O A:HOH4028 2.5 39.8 1.0 C8 A:DG1002 3.0 20.5 1.0 C5 A:DG1002 3.3 22.9 1.0 O6 A:DG1002 3.7 18.6 1.0 C6 A:DG1002 3.9 21.9 1.0 N9 A:DG1002 4.3 24.1 1.0 C4 A:DG1002 4.4 20.9 1.0 OP2 A:DG1002 4.4 47.7 1.0 O4 A:DT1003 4.5 19.5 1.0 C7 A:DT1003 4.6 24.0 1.0 OP1 A:DG1002 4.7 56.5 1.0

Cobalt binding site 2 out of 2 in the 9-Amino-(N-(2-Dimethylamino)Butyl)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)Butyl)Acridine-4-Carboxamide Bound to D(Cgtacg)2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Co4001 b:21.9 occ:0.50 O B:HOH4013 2.0 10.8 0.5 N7 B:DG2006 2.1 13.6 1.0 O B:HOH4020 2.2 21.9 1.0 C8 B:DG2006 2.9 15.9 1.0 C5 B:DG2006 3.3 17.0 1.0 O B:HOH4005 3.5 14.3 0.5 O6 B:DG2006 3.9 26.9 1.0 C6 B:DG2006 4.0 19.6 1.0 OP2 B:DG2006 4.0 20.0 1.0 N9 B:DG2006 4.2 19.2 1.0 C4 B:DG2006 4.4 17.4 1.0 O B:HOH4010 4.4 29.2 1.0 O B:HOH4024 4.4 28.4 1.0 O B:HOH4006 4.8 35.9 1.0 O5' B:DG2006 5.0 17.6 1.0

A.Adams, J.M.Guss, C.A.Collyer, W.A.Denny, L.P.Wakelin. A Novel Form of Intercalation Involving Four Dna Duplexes in An Acridine-4-Carboxamide Complex of D(Cgtacg)(2). Nucleic Acids Res. V. 28 4244 2000.
ISSN: ISSN 0305-1048
PubMed: 11058124
DOI: 10.1093/NAR/28.21.4244