Fluorine in PDB 5mbr: Quadruplex with Flipped Tetrad Formed By A Human Telomeric Sequence

The binding sites of Fluorine atom in the Quadruplex with Flipped Tetrad Formed By A Human Telomeric Sequence (pdb code 5mbr). 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 A Human Telomeric Sequence, PDB code: 5mbr:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Quadruplex with Flipped Tetrad Formed By A Human Telomeric 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 A Human Telomeric Sequence within 5.0Å range: probe atom residue distance (Å) B Occ A:F3 b:0.0 occ:1.00 F A:GF23 0.0 0.0 1.0 C2' A:GF23 1.4 0.0 1.0 H2' A:GF23 2.0 0.0 1.0 C1' A:GF23 2.4 0.0 1.0 C3' A:GF23 2.5 0.0 1.0 H1' A:GF23 2.5 0.0 1.0 H8 A:DG4 2.6 0.0 1.0 O3' A:GF23 3.0 0.0 1.0 OP2 A:DG4 3.0 0.0 1.0 H3' A:GF23 3.0 0.0 1.0 O5' A:DG4 3.0 0.0 1.0 N9 A:GF23 3.1 0.0 1.0 P A:DG4 3.2 0.0 1.0 C8 A:DG4 3.5 0.0 1.0 O4' A:GF23 3.6 0.0 1.0 H8 A:GF23 3.6 0.0 1.0 O4' A:DG4 3.6 0.0 1.0 C4' A:GF23 3.6 0.0 1.0 C8 A:GF23 3.7 0.0 1.0 C5' A:DG4 4.0 0.0 1.0 H5' A:DG4 4.0 0.0 1.0 C4 A:GF23 4.2 0.0 1.0 N7 A:DG4 4.3 0.0 1.0 N9 A:DG4 4.3 0.0 1.0 C4' A:DG4 4.3 0.0 1.0 H4' A:GF23 4.4 0.0 1.0 O5' A:GF23 4.4 0.0 1.0 C1' A:DG4 4.5 0.0 1.0 H3' A:DG4 4.5 0.0 1.0 H2' A:DG4 4.6 0.0 1.0 C5' A:GF23 4.6 0.0 1.0 H22 A:DG22 4.6 0.0 1.0 OP1 A:DG4 4.7 0.0 1.0 N3 A:GF23 4.7 0.0 1.0 H21 A:DG22 4.7 0.0 1.0 N7 A:GF23 4.8 0.0 1.0 C3' A:DG4 4.9 0.0 1.0 C2' A:DG4 4.9 0.0 1.0 H5'' A:DG4 4.9 0.0 1.0

Fluorine binding site 2 out of 3 in the Quadruplex with Flipped Tetrad Formed By A Human Telomeric 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 A Human Telomeric Sequence within 5.0Å range: probe atom residue distance (Å) B Occ A:F9 b:0.0 occ:1.00 F A:GF29 0.0 0.0 1.0 C2' A:GF29 1.4 0.0 1.0 H2' A:GF29 2.0 0.0 1.0 C1' A:GF29 2.4 0.0 1.0 C3' A:GF29 2.5 0.0 1.0 H8 A:DG10 2.5 0.0 1.0 H1' A:GF29 2.5 0.0 1.0 O3' A:GF29 2.9 0.0 1.0 H3' A:GF29 3.0 0.0 1.0 OP2 A:DG10 3.0 0.0 1.0 N9 A:GF29 3.1 0.0 1.0 P A:DG10 3.3 0.0 1.0 O5' A:DG10 3.3 0.0 1.0 C8 A:DG10 3.6 0.0 1.0 O4' A:GF29 3.6 0.0 1.0 C8 A:GF29 3.6 0.0 1.0 N3 A:DA8 3.6 0.0 1.0 H8 A:GF29 3.6 0.0 1.0 C2 A:DA8 3.6 0.0 1.0 C4' A:GF29 3.6 0.0 1.0 O4' A:DG10 3.6 0.0 1.0 C4 A:DA8 3.9 0.0 1.0 H2 A:DA8 3.9 0.0 1.0 N1 A:DA8 4.0 0.0 1.0 C4 A:GF29 4.0 0.0 1.0 C5' A:DG10 4.2 0.0 1.0 C6 A:DA8 4.2 0.0 1.0 C5 A:DA8 4.3 0.0 1.0 H5'A A:GF29 4.3 0.0 1.0 H5' A:DG10 4.3 0.0 1.0 H4' A:GF29 4.4 0.0 1.0 N7 A:DG10 4.4 0.0 1.0 N9 A:DG10 4.4 0.0 1.0 H1' A:DA8 4.4 0.0 1.0 C4' A:DG10 4.5 0.0 1.0 N9 A:DA8 4.5 0.0 1.0 N3 A:GF29 4.5 0.0 1.0 N7 A:GF29 4.6 0.0 1.0 C5' A:GF29 4.6 0.0 1.0 C1' A:DG10 4.6 0.0 1.0 OP1 A:DG10 4.7 0.0 1.0 C5 A:GF29 4.8 0.0 1.0 H2'' A:DA8 4.9 0.0 1.0 H22 A:DG4 4.9 0.0 1.0 H3' A:DG10 4.9 0.0 1.0 H21 A:DG4 5.0 0.0 1.0 C1' A:DA8 5.0 0.0 1.0

Fluorine binding site 3 out of 3 in the Quadruplex with Flipped Tetrad Formed By A Human Telomeric 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 A Human Telomeric Sequence within 5.0Å range: probe atom residue distance (Å) B Occ A:F21 b:0.0 occ:1.00 F A:GF221 0.0 0.0 1.0 C2' A:GF221 1.4 0.0 1.0 H2' A:GF221 2.0 0.0 1.0 H1' A:GF221 2.3 0.0 1.0 C1' A:GF221 2.3 0.0 1.0 C3' A:GF221 2.4 0.0 1.0 H5' A:DG22 2.5 0.0 1.0 O3' A:GF221 2.7 0.0 1.0 H4' A:GF221 2.9 0.0 1.0 C4' A:GF221 3.0 0.0 1.0 O4' A:GF221 3.2 0.0 1.0 C5' A:DG22 3.2 0.0 1.0 O5' A:DG22 3.3 0.0 1.0 H3' A:GF221 3.3 0.0 1.0 O4' A:DG22 3.4 0.0 1.0 N9 A:GF221 3.5 0.0 1.0 P A:DG22 3.6 0.0 1.0 N3 A:GF221 3.8 0.0 1.0 C4' A:DG22 3.9 0.0 1.0 C4 A:GF221 4.0 0.0 1.0 H5'' A:DG22 4.1 0.0 1.0 H4' A:DG22 4.3 0.0 1.0 OP1 A:DG22 4.5 0.0 1.0 H8 A:DG22 4.5 0.0 1.0 C5' A:GF221 4.5 0.0 1.0 C1' A:DG22 4.6 0.0 1.0 OP2 A:DG22 4.6 0.0 1.0 C8 A:GF221 4.7 0.0 1.0 HN2A A:GF221 4.8 0.0 1.0 N9 A:DG22 4.8 0.0 1.0 H5' A:GF221 4.9 0.0 1.0 C8 A:DG22 4.9 0.0 1.0 H2' A:DG22 5.0 0.0 1.0 C2 A:GF221 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