Fluorine in PDB 5mcr: Quadruplex with Flipped Tetrad Formed By An Artificial Sequence

The binding sites of Fluorine atom in the Quadruplex with Flipped Tetrad Formed By An Artificial Sequence (pdb code 5mcr). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Quadruplex with Flipped Tetrad Formed By An Artificial Sequence, PDB code: 5mcr:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Quadruplex with Flipped Tetrad Formed By An Artificial Sequence


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Quadruplex with Flipped Tetrad Formed By An Artificial Sequence within 5.0Å range: probe atom residue distance (Å) B Occ A:F1 b:0.0 occ:1.00 F A:GF01 0.0 0.0 1.0 C2' A:GF01 1.4 0.0 1.0 H2' A:GF01 2.0 0.0 1.0 C1' A:GF01 2.4 0.0 1.0 C3' A:GF01 2.4 0.0 1.0 H1' A:GF01 2.5 0.0 1.0 O3' A:GF01 2.7 0.0 1.0 H4' A:GF01 3.0 0.0 1.0 C4' A:GF01 3.0 0.0 1.0 O4' A:GF01 3.0 0.0 1.0 H5' A:DG2 3.2 0.0 1.0 H3' A:GF01 3.3 0.0 1.0 N9 A:GF01 3.7 0.0 1.0 C5' A:DG2 4.1 0.0 1.0 P A:DG2 4.1 0.0 1.0 N3 A:GF01 4.1 0.0 1.0 O4' A:DG2 4.2 0.0 1.0 O5' A:DG2 4.2 0.0 1.0 C4 A:GF01 4.3 0.0 1.0 C5' A:GF01 4.5 0.0 1.0 C4' A:DG2 4.7 0.0 1.0 C8 A:GF01 4.9 0.0 1.0 H8 A:DG2 4.9 0.0 1.0 OP1 A:DG2 4.9 0.0 1.0 H5'A A:GF01 4.9 0.0 1.0 H5'' A:DG2 4.9 0.0 1.0 H4' A:DG2 5.0 0.0 1.0 H5T A:GF01 5.0 0.0 1.0

Fluorine binding site 2 out of 3 in the Quadruplex with Flipped Tetrad Formed By An Artificial Sequence


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Quadruplex with Flipped Tetrad Formed By An Artificial Sequence within 5.0Å range: probe atom residue distance (Å) B Occ A:F6 b:0.0 occ:1.00 F A:GF26 0.0 0.0 1.0 C2' A:GF26 1.4 0.0 1.0 H2' A:GF26 2.0 0.0 1.0 C1' A:GF26 2.4 0.0 1.0 H8 A:DG7 2.5 0.0 1.0 C3' A:GF26 2.5 0.0 1.0 H1' A:GF26 2.6 0.0 1.0 O3' A:GF26 2.9 0.0 1.0 H3' A:GF26 3.0 0.0 1.0 O5' A:DG7 3.0 0.0 1.0 N9 A:GF26 3.1 0.0 1.0 OP2 A:DG7 3.3 0.0 1.0 P A:DG7 3.3 0.0 1.0 C8 A:DG7 3.4 0.0 1.0 O4' A:GF26 3.6 0.0 1.0 C4' A:GF26 3.6 0.0 1.0 H2'' A:DT5 3.7 0.0 1.0 C4 A:GF26 3.8 0.0 1.0 O4' A:DG7 3.8 0.0 1.0 C8 A:GF26 3.9 0.0 1.0 H5' A:DG7 4.0 0.0 1.0 C5' A:DG7 4.0 0.0 1.0 C2 A:DT5 4.0 0.0 1.0 N3 A:GF26 4.0 0.0 1.0 H2' A:DG7 4.0 0.0 1.0 N1 A:DT5 4.1 0.0 1.0 N7 A:DG7 4.1 0.0 1.0 H8 A:GF26 4.2 0.0 1.0 O2 A:DT5 4.2 0.0 1.0 N9 A:DG7 4.2 0.0 1.0 N3 A:DT5 4.3 0.0 1.0 H4' A:GF26 4.3 0.0 1.0 C6 A:DT5 4.4 0.0 1.0 C4' A:DG7 4.4 0.0 1.0 H1' A:DT5 4.4 0.0 1.0 O5' A:GF26 4.4 0.0 1.0 C1' A:DG7 4.5 0.0 1.0 C2' A:DT5 4.5 0.0 1.0 C1' A:DT5 4.6 0.0 1.0 H22 A:DG2 4.6 0.0 1.0 C4 A:DT5 4.6 0.0 1.0 C5 A:DT5 4.6 0.0 1.0 C5' A:GF26 4.6 0.0 1.0 C2' A:DG7 4.7 0.0 1.0 OP1 A:DG7 4.7 0.0 1.0 H21 A:DG2 4.7 0.0 1.0 H3 A:DT5 4.7 0.0 1.0 C5 A:GF26 4.7 0.0 1.0 H3' A:DG7 4.8 0.0 1.0 N7 A:GF26 4.8 0.0 1.0 H6 A:DT5 4.9 0.0 1.0 H2' A:DT5 4.9 0.0 1.0 H5'' A:DG7 4.9 0.0 1.0 C3' A:DG7 5.0 0.0 1.0

Fluorine binding site 3 out of 3 in the Quadruplex with Flipped Tetrad Formed By An Artificial Sequence


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Quadruplex with Flipped Tetrad Formed By An Artificial Sequence within 5.0Å range: probe atom residue distance (Å) B Occ A:F20 b:0.0 occ:1.00 F A:GF220 0.0 0.0 1.0 C2' A:GF220 1.4 0.0 1.0 H2' A:GF220 2.0 0.0 1.0 C1' A:GF220 2.4 0.0 1.0 H1' A:GF220 2.5 0.0 1.0 C3' A:GF220 2.5 0.0 1.0 O3' A:GF220 2.7 0.0 1.0 H8 A:DG21 2.9 0.0 1.0 H3' A:GF220 3.0 0.0 1.0 O5' A:DG21 3.2 0.0 1.0 H2' A:DG21 3.3 0.0 1.0 N9 A:GF220 3.3 0.0 1.0 O4' A:GF220 3.5 0.0 1.0 H8 A:GF220 3.6 0.0 1.0 C4' A:GF220 3.6 0.0 1.0 P A:DG21 3.6 0.0 1.0 C8 A:GF220 3.8 0.0 1.0 C8 A:DG21 3.8 0.0 1.0 H5' A:GF220 4.3 0.0 1.0 C2' A:DG21 4.3 0.0 1.0 OP2 A:DG21 4.4 0.0 1.0 H4' A:GF220 4.4 0.0 1.0 C4 A:GF220 4.4 0.0 1.0 H3' A:DG21 4.4 0.0 1.0 C5' A:GF220 4.5 0.0 1.0 C5' A:DG21 4.5 0.0 1.0 N7 A:DG21 4.6 0.0 1.0 N9 A:DG21 4.6 0.0 1.0 O4' A:DG21 4.6 0.0 1.0 H22 A:DG7 4.7 0.0 1.0 OP1 A:DG21 4.7 0.0 1.0 C1' A:DG21 4.8 0.0 1.0 C3' A:DG21 4.8 0.0 1.0 H5'A A:GF220 4.9 0.0 1.0 C4' A:DG21 4.9 0.0 1.0 H21 A:DG7 4.9 0.0 1.0 N7 A:GF220 5.0 0.0 1.0 N3 A:GF220 5.0 0.0 1.0 H5' A:DG21 5.0 0.0 1.0

J.Dickerhoff, L.Haase, W.Langel, K.Weisz. Tracing Effects of Fluorine Substitutions on G-Quadruplex Conformational Changes. Acs Chem. Biol. V. 12 1308 2017.
ISSN: ESSN 1554-8937
PubMed: 28318229
DOI: 10.1021/ACSCHEMBIO.6B01096