Fluorine in PDB 5ov2: 2'F-Ana-G Modified Quadruplex with A Flipped Tetrad

The binding sites of Fluorine atom in the 2'F-Ana-G Modified Quadruplex with A Flipped Tetrad (pdb code 5ov2). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the 2'F-Ana-G Modified Quadruplex with A Flipped Tetrad, PDB code: 5ov2:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the 2'F-Ana-G Modified Quadruplex with A Flipped Tetrad


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of 2'F-Ana-G Modified Quadruplex with A Flipped Tetrad within 5.0Å range: probe atom residue distance (Å) B Occ X:F1 b:0.0 occ:1.00 F X:GFL1 0.0 0.0 1.0 C2' X:GFL1 1.4 0.0 1.0 H2' X:GFL1 2.1 0.0 1.0 C3' X:GFL1 2.4 0.0 1.0 H3' X:GFL1 2.4 0.0 1.0 C1' X:GFL1 2.5 0.0 1.0 H8 X:GFL1 2.5 0.0 1.0 N9 X:GFL1 2.9 0.0 1.0 C8 X:GFL1 3.0 0.0 1.0 O4' X:GFL1 3.0 0.0 1.0 C4' X:GFL1 3.2 0.0 1.0 O5' X:GFL1 3.3 0.0 1.0 H8 X:DG2 3.3 0.0 1.0 H1' X:GFL1 3.3 0.0 1.0 O3' X:GFL1 3.6 0.0 1.0 C5' X:GFL1 3.8 0.0 1.0 OP2 X:DG2 3.9 0.0 1.0 C4 X:GFL1 4.1 0.0 1.0 H4' X:GFL1 4.1 0.0 1.0 N7 X:GFL1 4.1 0.0 1.0 P X:DG2 4.2 0.0 1.0 C8 X:DG2 4.2 0.0 1.0 HO5' X:GFL1 4.2 0.0 1.0 O5' X:DG2 4.2 0.0 1.0 H22 X:DG15 4.3 0.0 1.0 H2' X:DG2 4.4 0.0 1.0 H5'1 X:GFL1 4.4 0.0 1.0 OP2 X:DG15 4.5 0.0 1.0 H5'2 X:GFL1 4.6 0.0 1.0 H21 X:DG15 4.7 0.0 1.0 C5 X:GFL1 4.7 0.0 1.0 N2 X:DG15 4.8 0.0 1.0 N7 X:DG2 4.8 0.0 1.0 N3 X:GFL1 5.0 0.0 1.0 O4' X:DG2 5.0 0.0 1.0

Fluorine binding site 2 out of 3 in the 2'F-Ana-G Modified Quadruplex with A Flipped Tetrad


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of 2'F-Ana-G Modified Quadruplex with A Flipped Tetrad within 5.0Å range: probe atom residue distance (Å) B Occ X:F6 b:0.0 occ:1.00 F X:GFL6 0.0 0.0 1.0 C2' X:GFL6 1.4 0.0 1.0 H2' X:GFL6 2.1 0.0 1.0 C3' X:GFL6 2.4 0.0 1.0 H3' X:GFL6 2.4 0.0 1.0 C1' X:GFL6 2.4 0.0 1.0 H8 X:GFL6 2.5 0.0 1.0 N9 X:GFL6 2.9 0.0 1.0 H5'2 X:GFL6 2.9 0.0 1.0 O4' X:GFL6 2.9 0.0 1.0 C8 X:GFL6 3.0 0.0 1.0 C4' X:GFL6 3.1 0.0 1.0 H1' X:GFL6 3.4 0.0 1.0 C5' X:GFL6 3.5 0.0 1.0 H8 X:DG7 3.5 0.0 1.0 O3' X:GFL6 3.6 0.0 1.0 H22 X:DG2 3.7 0.0 1.0 H2'' X:DT5 3.8 0.0 1.0 H4' X:GFL6 4.1 0.0 1.0 OP2 X:DG7 4.1 0.0 1.0 C4 X:GFL6 4.1 0.0 1.0 H21 X:DG2 4.2 0.0 1.0 N7 X:GFL6 4.2 0.0 1.0 O5' X:GFL6 4.2 0.0 1.0 N2 X:DG2 4.2 0.0 1.0 C8 X:DG7 4.3 0.0 1.0 P X:DG7 4.4 0.0 1.0 H5'1 X:GFL6 4.4 0.0 1.0 O5' X:DG7 4.6 0.0 1.0 O3' X:DT5 4.6 0.0 1.0 H3' X:DT5 4.6 0.0 1.0 H2' X:DG7 4.6 0.0 1.0 C2' X:DT5 4.7 0.0 1.0 C5 X:GFL6 4.7 0.0 1.0 N7 X:DG7 4.8 0.0 1.0 C3' X:DT5 4.9 0.0 1.0 H2' X:DT5 4.9 0.0 1.0 N3 X:GFL6 4.9 0.0 1.0

Fluorine binding site 3 out of 3 in the 2'F-Ana-G Modified Quadruplex with A Flipped Tetrad


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of 2'F-Ana-G Modified Quadruplex with A Flipped Tetrad within 5.0Å range: probe atom residue distance (Å) B Occ X:F20 b:0.0 occ:1.00 F X:GFL20 0.0 0.0 1.0 C2' X:GFL20 1.4 0.0 1.0 H2' X:GFL20 2.0 0.0 1.0 H8 X:GFL20 2.3 0.0 1.0 C3' X:GFL20 2.4 0.0 1.0 H3' X:GFL20 2.4 0.0 1.0 C1' X:GFL20 2.5 0.0 1.0 C8 X:GFL20 2.9 0.0 1.0 N9 X:GFL20 2.9 0.0 1.0 O4' X:GFL20 3.0 0.0 1.0 H5'1 X:GFL20 3.1 0.0 1.0 C4' X:GFL20 3.1 0.0 1.0 H1' X:GFL20 3.3 0.0 1.0 C5' X:GFL20 3.6 0.0 1.0 O3' X:GFL20 3.6 0.0 1.0 OP2 X:DG21 3.9 0.0 1.0 H5'2 X:GFL20 4.0 0.0 1.0 H4' X:GFL20 4.1 0.0 1.0 N7 X:GFL20 4.2 0.0 1.0 H8 X:DG21 4.2 0.0 1.0 P X:DG21 4.2 0.0 1.0 C4 X:GFL20 4.3 0.0 1.0 O5' X:DG21 4.4 0.0 1.0 C5 X:GFL20 4.8 0.0 1.0 O5' X:GFL20 4.8 0.0 1.0 O1P X:GFL20 5.0 0.0 1.0

J.Dickerhoff, K.Weisz. Nonconventional C-Hf Hydrogen Bonds Support A Tetrad Flip in Modified G-Quadruplexes. J Phys Chem Lett V. 8 5148 2017.
ISSN: ESSN 1948-7185
PubMed: 28976755
DOI: 10.1021/ACS.JPCLETT.7B02428