Fluorine in PDB 5w77: Complex of Dna and Compounds

The structure of Complex of Dna and Compounds also contains other interesting chemical elements:

Potassium

(K)

30 atoms

The binding sites of Fluorine atom in the Complex of Dna and Compounds (pdb code 5w77). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Complex of Dna and Compounds, PDB code: 5w77:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in the Complex of Dna and Compounds


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Complex of Dna and Compounds within 5.0Å range: probe atom residue distance (Å) B Occ A:F103 b:0.0 occ:1.00 F1 A:9WP103 0.0 0.0 1.0 C17 A:9WP103 1.4 0.0 1.0 F3 A:9WP103 2.1 0.0 1.0 F2 A:9WP103 2.1 0.0 1.0 C11 A:9WP103 2.5 0.0 1.0 H16 A:9WP103 2.7 0.0 1.0 C16 A:9WP103 2.9 0.0 1.0 C12 A:9WP103 3.7 0.0 1.0 H12 A:9WP103 4.1 0.0 1.0 H5' A:DG8 4.2 0.0 1.0 C15 A:9WP103 4.3 0.0 1.0 H1' A:DG7 4.5 0.0 1.0 H22 A:DG7 4.5 0.0 1.0 H4' A:DG8 4.7 0.0 1.0 N3 A:DG7 4.9 0.0 1.0 C13 A:9WP103 4.9 0.0 1.0 H15 A:9WP103 5.0 0.0 1.0 C5' A:DG8 5.0 0.0 1.0

Fluorine binding site 2 out of 6 in the Complex of Dna and Compounds


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Complex of Dna and Compounds within 5.0Å range: probe atom residue distance (Å) B Occ A:F103 b:0.0 occ:1.00 F2 A:9WP103 0.0 0.0 1.0 C17 A:9WP103 1.4 0.0 1.0 F1 A:9WP103 2.1 0.0 1.0 F3 A:9WP103 2.2 0.0 1.0 C11 A:9WP103 2.4 0.0 1.0 H12 A:9WP103 2.9 0.0 1.0 C12 A:9WP103 3.0 0.0 1.0 C16 A:9WP103 3.4 0.0 1.0 H16 A:9WP103 3.7 0.0 1.0 C13 A:9WP103 4.3 0.0 1.0 C15 A:9WP103 4.6 0.0 1.0 H13 A:9WP103 5.0 0.0 1.0 C14 A:9WP103 5.0 0.0 1.0

Fluorine binding site 3 out of 6 in the Complex of Dna and Compounds


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Complex of Dna and Compounds within 5.0Å range: probe atom residue distance (Å) B Occ A:F103 b:0.0 occ:1.00 F3 A:9WP103 0.0 0.0 1.0 C17 A:9WP103 1.4 0.0 1.0 F1 A:9WP103 2.1 0.0 1.0 F2 A:9WP103 2.2 0.0 1.0 C11 A:9WP103 2.4 0.0 1.0 H12 A:9WP103 2.8 0.0 1.0 C12 A:9WP103 3.0 0.0 1.0 H22 A:DG7 3.3 0.0 1.0 C16 A:9WP103 3.5 0.0 1.0 H16 A:9WP103 3.8 0.0 1.0 N2 A:DG7 4.2 0.0 1.0 C13 A:9WP103 4.3 0.0 1.0 H4' A:DG8 4.4 0.0 1.0 C15 A:9WP103 4.7 0.0 1.0 H21 A:DG7 4.7 0.0 1.0 O4' A:DG8 4.7 0.0 1.0 N3 A:DG7 4.8 0.0 1.0 H5' A:DG8 4.9 0.0 1.0 C2 A:DG7 4.9 0.0 1.0 H13 A:9WP103 4.9 0.0 1.0 C14 A:9WP103 5.0 0.0 1.0

Fluorine binding site 4 out of 6 in the Complex of Dna and Compounds


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Complex of Dna and Compounds within 5.0Å range: probe atom residue distance (Å) B Occ A:F104 b:0.0 occ:1.00 F1 A:9WP104 0.0 0.0 1.0 C17 A:9WP104 1.4 0.0 1.0 F3 A:9WP104 2.1 0.0 1.0 F2 A:9WP104 2.2 0.0 1.0 C11 A:9WP104 2.5 0.0 1.0 H16 A:9WP104 2.7 0.0 1.0 C16 A:9WP104 2.9 0.0 1.0 H22 A:DG18 3.0 0.0 1.0 N2 A:DG18 3.3 0.0 1.0 H21 A:DG18 3.4 0.0 1.0 C12 A:9WP104 3.7 0.0 1.0 N7 A:DG22 3.9 0.0 1.0 H8 A:DG22 3.9 0.0 1.0 H12 A:9WP104 4.1 0.0 1.0 C2 A:DG18 4.1 0.0 1.0 C8 A:DG22 4.2 0.0 1.0 H2'' A:DG21 4.3 0.0 1.0 C15 A:9WP104 4.3 0.0 1.0 H2' A:DG21 4.4 0.0 1.0 N3 A:DG18 4.5 0.0 1.0 C2' A:DG21 4.9 0.0 1.0 C13 A:9WP104 4.9 0.0 1.0 N1 A:DG18 4.9 0.0 1.0 H1 A:DG18 4.9 0.0 1.0 H15 A:9WP104 4.9 0.0 1.0

Fluorine binding site 5 out of 6 in the Complex of Dna and Compounds


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Complex of Dna and Compounds within 5.0Å range: probe atom residue distance (Å) B Occ A:F104 b:0.0 occ:1.00 F2 A:9WP104 0.0 0.0 1.0 C17 A:9WP104 1.3 0.0 1.0 F1 A:9WP104 2.2 0.0 1.0 F3 A:9WP104 2.2 0.0 1.0 C11 A:9WP104 2.3 0.0 1.0 C12 A:9WP104 3.1 0.0 1.0 H12 A:9WP104 3.1 0.0 1.0 C16 A:9WP104 3.3 0.0 1.0 H16 A:9WP104 3.5 0.0 1.0 C13 A:9WP104 4.3 0.0 1.0 C15 A:9WP104 4.5 0.0 1.0 H22 A:DG18 4.6 0.0 1.0 N2 A:DG18 4.8 0.0 1.0 C14 A:9WP104 4.9 0.0 1.0

Fluorine binding site 6 out of 6 in the Complex of Dna and Compounds


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Complex of Dna and Compounds within 5.0Å range: probe atom residue distance (Å) B Occ A:F104 b:0.0 occ:1.00 F3 A:9WP104 0.0 0.0 1.0 C17 A:9WP104 1.4 0.0 1.0 F1 A:9WP104 2.1 0.0 1.0 F2 A:9WP104 2.2 0.0 1.0 C11 A:9WP104 2.4 0.0 1.0 H12 A:9WP104 2.8 0.0 1.0 H22 A:DG18 2.8 0.0 1.0 C12 A:9WP104 2.9 0.0 1.0 N3 A:DG18 3.2 0.0 1.0 N2 A:DG18 3.2 0.0 1.0 C2 A:DG18 3.4 0.0 1.0 C16 A:9WP104 3.6 0.0 1.0 H21 A:DG18 3.8 0.0 1.0 H16 A:9WP104 4.0 0.0 1.0 H1' A:DG18 4.1 0.0 1.0 C4 A:DG18 4.1 0.0 1.0 C13 A:9WP104 4.3 0.0 1.0 N1 A:DG18 4.4 0.0 1.0 H2'' A:DG18 4.5 0.0 1.0 C15 A:9WP104 4.8 0.0 1.0 N9 A:DG18 4.8 0.0 1.0 C1' A:DG18 4.8 0.0 1.0 H1 A:DG18 4.8 0.0 1.0 H13 A:9WP104 4.9 0.0 1.0 H2' A:DG21 4.9 0.0 1.0

D.R.Calabrese, X.Chen, E.C.Leon, S.M.Gaikwad, Z.Phyo, W.M.Hewitt, S.Alden, T.A.Hilimire, F.He, A.M.Michalowski, J.K.Simmons, L.B.Saunders, S.Zhang, D.Connors, K.J.Walters, B.A.Mock, J.S.Schneekloth Jr.. Chemical and Structural Studies Provide A Mechanistic Basis For Recognition of the Myc G-Quadruplex. Nat Commun V. 9 4229 2018.
ISSN: ESSN 2041-1723
PubMed: 30315240
DOI: 10.1038/S41467-018-06315-W