Fluorine in PDB 3cwt: Crystal Structure of An Alka Host/Guest Complex 2'-Fluoro-2'- Deoxyinosine:Adenine Base Pair

All present enzymatic activity of Crystal Structure of An Alka Host/Guest Complex 2'-Fluoro-2'- Deoxyinosine:Adenine Base Pair:
3.2.2.21;

The structure of Crystal Structure of An Alka Host/Guest Complex 2'-Fluoro-2'- Deoxyinosine:Adenine Base Pair, PDB code: 3cwt was solved by B.R.Bowman, S.Lee, S.Wang, G.L.Verdine, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	75.748, 101.478, 103.113, 90.00, 93.72, 90.00
R / Rfree (%)	23.9 / 28

The binding sites of Fluorine atom in the Crystal Structure of An Alka Host/Guest Complex 2'-Fluoro-2'- Deoxyinosine:Adenine Base Pair (pdb code 3cwt). 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 An Alka Host/Guest Complex 2'-Fluoro-2'- Deoxyinosine:Adenine Base Pair, PDB code: 3cwt:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of An Alka Host/Guest Complex 2'-Fluoro-2'- Deoxyinosine:Adenine Base Pair


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 An Alka Host/Guest Complex 2'-Fluoro-2'- Deoxyinosine:Adenine Base Pair within 5.0Å range: probe atom residue distance (Å) B Occ E:F8 b:21.0 occ:1.00 F1' E:2FI8 0.0 21.0 1.0 C2' E:2FI8 1.4 20.4 1.0 C1' E:2FI8 2.3 20.4 1.0 C3' E:2FI8 2.4 20.7 1.0 N9 E:2FI8 2.6 20.5 1.0 C5' E:DT9 2.9 0.2 1.0 O4' E:2FI8 3.1 20.8 1.0 C8 E:2FI8 3.1 20.5 1.0 C6 E:DT9 3.3 0.1 1.0 O3' E:2FI8 3.4 22.3 1.0 C4' E:2FI8 3.4 20.4 1.0 O4' E:DT9 3.4 1.0 1.0 C4 E:2FI8 3.5 20.5 1.0 OP2 E:DT9 3.6 0.8 1.0 C7 E:DT9 3.7 1.0 1.0 C4' E:DT9 3.8 0.5 1.0 C5 E:DT9 3.8 0.3 1.0 O5' E:DT9 3.9 0.5 1.0 P E:DT9 3.9 0.9 1.0 N3 E:2FI8 4.1 20.5 1.0 N7 E:2FI8 4.1 20.6 1.0 O5' E:2FI8 4.2 20.9 1.0 C5 E:2FI8 4.2 20.3 1.0 N1 E:DT9 4.3 0.6 1.0 C1' E:DT9 4.4 0.0 1.0 C5' E:2FI8 4.4 20.5 1.0 O2P E:2FI8 4.5 20.9 1.0 P E:2FI8 4.9 22.2 1.0 C3' E:DT9 5.0 0.5 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of An Alka Host/Guest Complex 2'-Fluoro-2'- Deoxyinosine:Adenine Base Pair


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 An Alka Host/Guest Complex 2'-Fluoro-2'- Deoxyinosine:Adenine Base Pair within 5.0Å range: probe atom residue distance (Å) B Occ G:F8 b:20.9 occ:1.00 F1' G:2FI8 0.0 20.9 1.0 C2' G:2FI8 1.4 20.5 1.0 C3' G:2FI8 2.4 20.5 1.0 C1' G:2FI8 2.4 20.4 1.0 N9 G:2FI8 2.9 20.5 1.0 C7 G:DT9 3.0 53.3 1.0 O4' G:2FI8 3.1 20.6 1.0 C8 G:2FI8 3.2 20.5 1.0 C6 G:DT9 3.2 54.0 1.0 C4' G:2FI8 3.4 20.4 1.0 C5 G:DT9 3.4 52.7 1.0 OP2 G:DT9 3.4 67.3 1.0 O3' G:2FI8 3.5 21.3 1.0 P G:DT9 3.9 75.3 1.0 C4 G:2FI8 3.9 20.5 1.0 O5' G:2FI8 3.9 20.7 1.0 O5' G:DT9 3.9 74.6 1.0 C5' G:2FI8 4.3 20.5 1.0 N7 G:2FI8 4.3 20.4 1.0 N1 G:DT9 4.3 56.3 1.0 O4' G:DT9 4.6 70.3 1.0 N3 G:2FI8 4.6 20.5 1.0 C5 G:2FI8 4.6 20.2 1.0 C5' G:DT9 4.6 72.7 1.0 C4 G:DT9 4.6 53.0 1.0 C1' G:DT9 4.9 67.4 1.0

B.R.Bowman, S.Lee, S.Wang, G.L.Verdine. Structure of the E. Coli Dna Glycosylase Alka Bound to the Ends of Duplex Dna: A System For the Structure Determination of Lesion-Containing Dna. Structure V. 16 1166 2008.
ISSN: ISSN 0969-2126
PubMed: 18682218
DOI: 10.1016/J.STR.2008.04.012