Fluorine in PDB 1nzm: uc(Nmr) Structure of the Parallel-Stranded Dna Quadruplex D(Ttagggt)4 Complexed with the Telomerase Inhibitor RHPS4

The structure of uc(Nmr) Structure of the Parallel-Stranded Dna Quadruplex D(Ttagggt)4 Complexed with the Telomerase Inhibitor RHPS4 also contains other interesting chemical elements:

Potassium

(K)

20 atoms

The binding sites of Fluorine atom in the uc(Nmr) Structure of the Parallel-Stranded Dna Quadruplex D(Ttagggt)4 Complexed with the Telomerase Inhibitor RHPS4 (pdb code 1nzm). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the uc(Nmr) Structure of the Parallel-Stranded Dna Quadruplex D(Ttagggt)4 Complexed with the Telomerase Inhibitor RHPS4, PDB code: 1nzm:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the uc(Nmr) Structure of the Parallel-Stranded Dna Quadruplex D(Ttagggt)4 Complexed with the Telomerase Inhibitor RHPS4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of uc(Nmr) Structure of the Parallel-Stranded Dna Quadruplex D(Ttagggt)4 Complexed with the Telomerase Inhibitor RHPS4 within 5.0Å range: probe atom residue distance (Å) B Occ B:F31 b:10.0 occ:1.00 F30 B:LG131 0.0 10.0 1.0 C21 B:LG131 1.4 10.0 1.0 H2'' B:DG13 2.3 10.0 1.0 C20 B:LG131 2.4 10.0 1.0 C22 B:LG131 2.4 10.0 1.0 H29 B:LG131 2.5 10.0 1.0 H31 B:LG131 2.6 10.0 1.0 H1' B:DT14 2.9 10.0 1.0 H1' B:DG13 2.9 10.0 1.0 C2' B:DG13 3.1 10.0 1.0 N9 B:DG13 3.1 10.0 1.0 C4 B:DG13 3.1 10.0 1.0 C1' B:DG13 3.1 10.0 1.0 N1 B:DT14 3.1 10.0 1.0 C2 B:DT14 3.3 10.0 1.0 C1' B:DT14 3.3 10.0 1.0 N3 B:DG13 3.4 10.0 1.0 O2 B:DT14 3.4 10.0 1.0 O4' B:DT14 3.4 10.0 1.0 C8 B:DG13 3.6 10.0 1.0 C23 B:LG131 3.6 10.0 1.0 C5 B:DG13 3.7 10.0 1.0 C19 B:LG131 3.7 10.0 1.0 H2' B:DG13 3.7 10.0 1.0 C6 B:DT14 3.7 10.0 1.0 H8 B:DG13 4.0 10.0 1.0 N7 B:DG13 4.0 10.0 1.0 C2 B:DG13 4.1 10.0 1.0 C24 B:LG131 4.1 10.0 1.0 N3 B:DT14 4.1 10.0 1.0 H6 B:DT14 4.1 10.0 1.0 C6 B:DG13 4.3 10.0 1.0 O3' B:DG13 4.3 10.0 1.0 C3' B:DG13 4.4 10.0 1.0 C5 B:DT14 4.4 10.0 1.0 N1 B:DG13 4.5 10.0 1.0 HO3' B:DT14 4.5 10.0 1.0 O4' B:DG13 4.5 10.0 1.0 H32 B:LG131 4.6 10.0 1.0 H28 B:LG131 4.6 10.0 1.0 C4' B:DT14 4.6 10.0 1.0 C4 B:DT14 4.6 10.0 1.0 H3 B:DT14 4.7 10.0 1.0 H4' B:DT14 4.7 10.0 1.0 C2' B:DT14 4.8 10.0 1.0 C15 B:LG131 4.8 10.0 1.0

Fluorine binding site 2 out of 4 in the uc(Nmr) Structure of the Parallel-Stranded Dna Quadruplex D(Ttagggt)4 Complexed with the Telomerase Inhibitor RHPS4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of uc(Nmr) Structure of the Parallel-Stranded Dna Quadruplex D(Ttagggt)4 Complexed with the Telomerase Inhibitor RHPS4 within 5.0Å range: probe atom residue distance (Å) B Occ B:F31 b:10.0 occ:1.00 F08 B:LG131 0.0 10.0 1.0 C04 B:LG131 1.4 10.0 1.0 H3 C:DT21 2.3 10.0 1.0 C05 B:LG131 2.4 10.0 1.0 C03 B:LG131 2.4 10.0 1.0 H07 B:LG131 2.6 10.0 1.0 H09 B:LG131 2.6 10.0 1.0 O4' D:DT28 2.8 10.0 1.0 C4 D:DG27 3.1 10.0 1.0 N3 C:DT21 3.2 10.0 1.0 C5 D:DG27 3.3 10.0 1.0 N3 D:DG27 3.4 10.0 1.0 N9 D:DG27 3.5 10.0 1.0 H1' D:DT28 3.5 10.0 1.0 H4' D:DT28 3.5 10.0 1.0 C6 D:DG27 3.5 10.0 1.0 C2 D:DG27 3.6 10.0 1.0 C06 B:LG131 3.6 10.0 1.0 H2'' D:DG27 3.6 10.0 1.0 N1 D:DG27 3.7 10.0 1.0 C02 B:LG131 3.7 10.0 1.0 O4 C:DT21 3.7 10.0 1.0 C4' D:DT28 3.7 10.0 1.0 C1' D:DT28 3.7 10.0 1.0 N7 D:DG27 3.9 10.0 1.0 C8 D:DG27 3.9 10.0 1.0 C4 C:DT21 3.9 10.0 1.0 O2 C:DT21 4.0 10.0 1.0 C01 B:LG131 4.1 10.0 1.0 H1' D:DG27 4.1 10.0 1.0 C1' D:DG27 4.2 10.0 1.0 C2 C:DT21 4.2 10.0 1.0 H1 D:DG27 4.2 10.0 1.0 N1 D:DT28 4.3 10.0 1.0 H35 B:LG131 4.3 10.0 1.0 C2' D:DG27 4.3 10.0 1.0 O6 D:DG27 4.4 10.0 1.0 O5' D:DT28 4.4 10.0 1.0 H10 B:LG131 4.4 10.0 1.0 N2 D:DG27 4.5 10.0 1.0 H8 D:DG27 4.6 10.0 1.0 C5' D:DT28 4.7 10.0 1.0 C3' D:DT28 4.8 10.0 1.0 C2 D:DT28 4.8 10.0 1.0 O2 D:DT28 4.8 10.0 1.0 O3' D:DT28 4.8 10.0 1.0 H22 D:DG27 4.8 10.0 1.0 C11 B:LG131 4.8 10.0 1.0 H2' D:DG27 4.9 10.0 1.0 H36 B:LG131 4.9 10.0 1.0 C34 B:LG131 5.0 10.0 1.0 H21 A:DG6 5.0 10.0 1.0 C2' D:DT28 5.0 10.0 1.0

Fluorine binding site 3 out of 4 in the uc(Nmr) Structure of the Parallel-Stranded Dna Quadruplex D(Ttagggt)4 Complexed with the Telomerase Inhibitor RHPS4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of uc(Nmr) Structure of the Parallel-Stranded Dna Quadruplex D(Ttagggt)4 Complexed with the Telomerase Inhibitor RHPS4 within 5.0Å range: probe atom residue distance (Å) B Occ A:F32 b:10.0 occ:1.00 F30 A:LG132 0.0 10.0 1.0 C21 A:LG132 1.4 10.0 1.0 C22 A:LG132 2.3 10.0 1.0 C20 A:LG132 2.5 10.0 1.0 H31 A:LG132 2.5 10.0 1.0 H29 A:LG132 2.6 10.0 1.0 H2'' A:DA3 2.6 10.0 1.0 H2' A:DA3 3.2 10.0 1.0 N7 A:DG4 3.2 10.0 1.0 C8 A:DG4 3.2 10.0 1.0 C2' A:DA3 3.3 10.0 1.0 C5 A:DG4 3.4 10.0 1.0 H8 A:DG4 3.4 10.0 1.0 N9 A:DG4 3.5 10.0 1.0 C4 A:DG4 3.5 10.0 1.0 C23 A:LG132 3.6 10.0 1.0 H8 A:DA3 3.6 10.0 1.0 C8 A:DA3 3.6 10.0 1.0 C19 A:LG132 3.7 10.0 1.0 N9 A:DA3 3.7 10.0 1.0 H21 B:DG11 3.8 10.0 1.0 N7 A:DA3 4.0 10.0 1.0 C1' A:DA3 4.1 10.0 1.0 O4' A:DG4 4.1 10.0 1.0 C24 A:LG132 4.2 10.0 1.0 C6 A:DG4 4.2 10.0 1.0 H1 B:DG11 4.3 10.0 1.0 C1' A:DG4 4.3 10.0 1.0 N3 A:DG4 4.3 10.0 1.0 C5 A:DA3 4.4 10.0 1.0 N2 B:DG11 4.4 10.0 1.0 C4 A:DA3 4.4 10.0 1.0 H1' A:DA3 4.4 10.0 1.0 H32 A:LG132 4.5 10.0 1.0 H28 A:LG132 4.6 10.0 1.0 C3' A:DA3 4.7 10.0 1.0 N1 B:DG11 4.7 10.0 1.0 H1' A:DG4 4.8 10.0 1.0 O6 A:DG4 4.8 10.0 1.0 H22 B:DG11 4.8 10.0 1.0 C2 A:DG4 4.8 10.0 1.0 N1 A:DG4 4.8 10.0 1.0 C2 B:DG11 4.8 10.0 1.0 H3' A:DA3 4.9 10.0 1.0 C15 A:LG132 4.9 10.0 1.0

Fluorine binding site 4 out of 4 in the uc(Nmr) Structure of the Parallel-Stranded Dna Quadruplex D(Ttagggt)4 Complexed with the Telomerase Inhibitor RHPS4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of uc(Nmr) Structure of the Parallel-Stranded Dna Quadruplex D(Ttagggt)4 Complexed with the Telomerase Inhibitor RHPS4 within 5.0Å range: probe atom residue distance (Å) B Occ A:F32 b:10.0 occ:1.00 F08 A:LG132 0.0 10.0 1.0 C04 A:LG132 1.4 10.0 1.0 C03 A:LG132 2.3 10.0 1.0 H07 A:LG132 2.5 10.0 1.0 C05 A:LG132 2.5 10.0 1.0 H09 A:LG132 2.9 10.0 1.0 N7 C:DG18 3.3 10.0 1.0 C8 C:DG18 3.5 10.0 1.0 C5 C:DG18 3.5 10.0 1.0 C02 A:LG132 3.6 10.0 1.0 H36 A:LG132 3.7 10.0 1.0 C06 A:LG132 3.7 10.0 1.0 N3 C:DA17 3.8 10.0 1.0 N9 C:DG18 3.8 10.0 1.0 C4 C:DG18 3.9 10.0 1.0 H8 C:DG18 3.9 10.0 1.0 C2 C:DA17 4.0 10.0 1.0 C4 C:DA17 4.0 10.0 1.0 H37 A:LG132 4.0 10.0 1.0 C01 A:LG132 4.1 10.0 1.0 N1 C:DA17 4.2 10.0 1.0 C6 C:DG18 4.3 10.0 1.0 H62 B:DA10 4.3 10.0 1.0 H2 C:DA17 4.3 10.0 1.0 H1' C:DA17 4.3 10.0 1.0 C6 C:DA17 4.3 10.0 1.0 C5 C:DA17 4.4 10.0 1.0 C34 A:LG132 4.4 10.0 1.0 H21 D:DG25 4.4 10.0 1.0 O4' C:DG18 4.4 10.0 1.0 H10 A:LG132 4.6 10.0 1.0 N3 C:DG18 4.6 10.0 1.0 N9 C:DA17 4.6 10.0 1.0 N6 B:DA10 4.7 10.0 1.0 C11 A:LG132 4.7 10.0 1.0 C1' C:DG18 4.7 10.0 1.0 N7 B:DA10 4.8 10.0 1.0 H1 D:DG25 4.9 10.0 1.0 N1 C:DG18 4.9 10.0 1.0 NP5 A:LG132 4.9 10.0 1.0 O6 C:DG18 5.0 10.0 1.0 C1' C:DA17 5.0 10.0 1.0 C6 B:DA10 5.0 10.0 1.0 H2'' C:DA17 5.0 10.0 1.0

E.Gavathiotis, R.A.Heald, M.F.G.Stevens, M.S.Searle. Drug Recognition and Stabilisation of the Parallel-Stranded Dna Quadruplex D(Ttagggt)4 Containing the Human Telomeric Repeat J.Mol.Biol. V. 334 25 2003.
ISSN: ISSN 0022-2836
PubMed: 14596797
DOI: 10.1016/J.JMB.2003.09.018