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

Protein crystallography data

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

Fluorine Binding Sites:

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 1dl8

Go back to Fluorine Binding Sites List in 1dl8
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 1dl8

Go back to Fluorine Binding Sites List in 1dl8
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

Reference:

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
Page generated: Mon Jul 14 10:33:15 2025

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