Cobalt in PDB 1fn1: Crystal Structure of 9-Amino-(N-(2-Dimethylamino)Butyl)Acridine-4- Carboxamide Bound to D(Cg(5BR)Uacg)2

The structure of Crystal Structure of 9-Amino-(N-(2-Dimethylamino)Butyl)Acridine-4- Carboxamide Bound to D(Cg(5BR)Uacg)2, PDB code: 1fn1 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 (°)	28.880, 53.168, 40.416, 90.00, 90.00, 90.00
R / Rfree (%)	23 / 24

The structure of Crystal Structure of 9-Amino-(N-(2-Dimethylamino)Butyl)Acridine-4- Carboxamide Bound to D(Cg(5BR)Uacg)2 also contains other interesting chemical elements:

Bromine

(Br)

2 atoms

The binding sites of Cobalt atom in the Crystal Structure of 9-Amino-(N-(2-Dimethylamino)Butyl)Acridine-4- Carboxamide Bound to D(Cg(5BR)Uacg)2 (pdb code 1fn1). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the Crystal Structure of 9-Amino-(N-(2-Dimethylamino)Butyl)Acridine-4- Carboxamide Bound to D(Cg(5BR)Uacg)2, PDB code: 1fn1:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Crystal Structure of 9-Amino-(N-(2-Dimethylamino)Butyl)Acridine-4- Carboxamide Bound to D(Cg(5BR)Uacg)2


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Crystal Structure of 9-Amino-(N-(2-Dimethylamino)Butyl)Acridine-4- Carboxamide Bound to D(Cg(5BR)Uacg)2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Co4002 b:41.8 occ:0.50 N7 A:DG1002 2.1 33.9 1.0 C8 A:DG1002 2.9 23.2 1.0 C5 A:DG1002 3.3 31.1 1.0 O A:HOH4018 3.4 51.2 0.5 O6 A:DG1002 3.7 28.6 1.0 C6 A:DG1002 3.8 19.9 1.0 N9 A:DG1002 4.2 27.5 1.0 C4 A:DG1002 4.4 25.5 1.0 O4 A:BRU1003 4.5 28.5 1.0 BR A:BRU1003 4.6 36.2 1.0 OP1 A:DG1002 4.6 70.9 1.0 OP2 A:DG1002 4.7 54.6 1.0 P A:DG1002 5.0 69.5 1.0

Cobalt binding site 2 out of 2 in the Crystal Structure of 9-Amino-(N-(2-Dimethylamino)Butyl)Acridine-4- Carboxamide Bound to D(Cg(5BR)Uacg)2


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Crystal Structure of 9-Amino-(N-(2-Dimethylamino)Butyl)Acridine-4- Carboxamide Bound to D(Cg(5BR)Uacg)2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Co4001 b:27.8 occ:0.50 O B:HOH4009 1.8 18.8 0.5 N7 B:DG2006 2.2 24.5 1.0 O B:HOH4007 2.3 20.3 0.5 C8 B:DG2006 3.0 22.0 1.0 C5 B:DG2006 3.4 27.9 1.0 O6 B:DG2006 3.9 27.8 1.0 C6 B:DG2006 4.0 27.8 1.0 OP2 B:DG2006 4.0 26.5 1.0 N9 B:DG2006 4.3 22.0 1.0 O B:HOH4013 4.4 41.5 1.0 O B:HOH4019 4.4 42.8 1.0 C4 B:DG2006 4.4 21.8 1.0 O B:HOH4012 4.7 35.7 1.0 P B:DG2006 5.0 23.3 1.0 O5' B:DG2006 5.0 22.8 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