Fluorine in PDB 1dl8: Crystal Structure of 5-F-9-Amino-(N-(2-Dimethylamino)Ethyl) Acridine-4-Carboxamide Bound to D(Cgtacg)2

The structure of Crystal Structure of 5-F-9-Amino-(N-(2-Dimethylamino)Ethyl) Acridine-4-Carboxamide Bound to D(Cgtacg)2, PDB code: 1dl8 was solved by A.Adams, J.M.Guss, C.A.Collyer, 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)	16.00 / 1.55
Space group	P 64
Cell size a, b, c (Å), α, β, γ (°)	30.140, 30.140, 39.400, 90.00, 90.00, 120.00
R / Rfree (%)	21.4 / 26.9

The binding sites of Fluorine atom in the Crystal Structure of 5-F-9-Amino-(N-(2-Dimethylamino)Ethyl) Acridine-4-Carboxamide Bound to D(Cgtacg)2 (pdb code 1dl8). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of 5-F-9-Amino-(N-(2-Dimethylamino)Ethyl) Acridine-4-Carboxamide Bound to D(Cgtacg)2, PDB code: 1dl8:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of 5-F-9-Amino-(N-(2-Dimethylamino)Ethyl) Acridine-4-Carboxamide Bound to D(Cgtacg)2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of 5-F-9-Amino-(N-(2-Dimethylamino)Ethyl) Acridine-4-Carboxamide Bound to D(Cgtacg)2 within 5.0Å range: probe atom residue distance (Å) B Occ A:F3014 b:25.1 occ:1.00 F A:DA73014 0.0 25.1 1.0 C5 A:DA73014 1.4 16.6 1.0 C14 A:DA73014 2.4 19.8 1.0 C6 A:DA73014 2.4 14.8 1.0 N10 A:DA73014 2.7 15.4 1.0 C7 A:DA73014 3.7 13.0 1.0 C13 A:DA73014 3.7 18.4 1.0 O A:HOH4014 3.7 33.8 1.0 O15 A:DA73014 3.8 19.7 1.0 C12 A:DA73014 4.0 22.6 1.0 C8 A:DA73014 4.2 14.8 1.0 N4 A:DC1001 4.7 16.0 1.0 C15 A:DA73014 4.7 27.2 1.0 C9 A:DA73014 4.8 18.9 1.0 C4 A:DA73014 4.9 25.9 1.0 C11 A:DA73014 5.0 19.8 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of 5-F-9-Amino-(N-(2-Dimethylamino)Ethyl) Acridine-4-Carboxamide Bound to D(Cgtacg)2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of 5-F-9-Amino-(N-(2-Dimethylamino)Ethyl) Acridine-4-Carboxamide Bound to D(Cgtacg)2 within 5.0Å range: probe atom residue distance (Å) B Occ A:F3015 b:13.4 occ:0.50 F A:DA73015 0.0 13.4 0.5 C5 A:DA73015 1.4 9.8 0.5 C6 A:DA73015 2.4 20.2 0.5 C14 A:DA73015 2.4 8.9 0.5 N10 A:DA73015 2.7 14.1 0.5 O15 A:DA73015 3.5 11.7 0.5 C7 A:DA73015 3.7 26.2 0.5 C13 A:DA73015 3.7 14.1 0.5 C12 A:DA73015 4.0 8.0 0.5 C8 A:DA73015 4.2 26.6 0.5 C15 A:DA73015 4.5 21.6 0.5 C4 A:DA73015 4.8 14.8 0.5 O6 A:DG1006 4.9 12.5 1.0 C9 A:DA73015 4.9 7.3 0.5

A.Adams, J.M.Guss, C.A.Collyer, W.A.Denny, A.S.Prakash, L.P.Wakelin. Acridinecarboxamide Topoisomerase Poisons: Structural and Kinetic Studies of the Dna Complexes of 5-Substituted 9-Amino-(N-(2-Dimethylamino)Ethyl)Acridine-4- Carboxamides. Mol.Pharmacol. V. 58 649 2000.
ISSN: ISSN 0026-895X
PubMed: 10953060