Fluorine in PDB 7jpk: Rabbit CAV1.1 in the Presence of 100 Micromolar (S)-(-)-Bay K8644 in Nanodiscs at 3.0 Angstrom Resolution

The structure of Rabbit CAV1.1 in the Presence of 100 Micromolar (S)-(-)-Bay K8644 in Nanodiscs at 3.0 Angstrom Resolution also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Fluorine atom in the Rabbit CAV1.1 in the Presence of 100 Micromolar (S)-(-)-Bay K8644 in Nanodiscs at 3.0 Angstrom Resolution (pdb code 7jpk). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Rabbit CAV1.1 in the Presence of 100 Micromolar (S)-(-)-Bay K8644 in Nanodiscs at 3.0 Angstrom Resolution, PDB code: 7jpk:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Rabbit CAV1.1 in the Presence of 100 Micromolar (S)-(-)-Bay K8644 in Nanodiscs at 3.0 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Rabbit CAV1.1 in the Presence of 100 Micromolar (S)-(-)-Bay K8644 in Nanodiscs at 3.0 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:F1911 b:20.0 occ:1.00 F19 A:C8U1911 0.0 20.0 1.0 C18 A:C8U1911 1.4 20.0 1.0 F20 A:C8U1911 2.2 20.0 1.0 F21 A:C8U1911 2.2 20.0 1.0 C17 A:C8U1911 2.4 20.0 1.0 C2I A:3PE1903 2.5 20.0 1.0 O11 A:C8U1911 3.0 20.0 1.0 C12 A:C8U1911 3.1 20.0 1.0 C04 A:C8U1911 3.3 20.0 1.0 C16 A:C8U1911 3.3 20.0 1.0 N09 A:C8U1911 3.4 20.0 1.0 C2H A:3PE1903 3.4 20.0 1.0 C2G A:3PE1903 3.6 20.0 1.0 C05 A:C8U1911 3.8 20.0 1.0 O10 A:C8U1911 4.1 20.0 1.0 C13 A:C8U1911 4.4 20.0 1.0 CE1 A:PHE1060 4.5 49.6 1.0 C15 A:C8U1911 4.5 20.0 1.0 O24 A:C8U1911 4.6 20.0 1.0 C03 A:C8U1911 4.6 20.0 1.0 CZ A:PHE1060 4.7 49.6 1.0 C25 A:C8U1911 4.8 20.0 1.0 CD1 A:PHE1060 4.8 49.6 1.0 C14 A:C8U1911 4.9 20.0 1.0

Fluorine binding site 2 out of 3 in the Rabbit CAV1.1 in the Presence of 100 Micromolar (S)-(-)-Bay K8644 in Nanodiscs at 3.0 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Rabbit CAV1.1 in the Presence of 100 Micromolar (S)-(-)-Bay K8644 in Nanodiscs at 3.0 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:F1911 b:20.0 occ:1.00 F20 A:C8U1911 0.0 20.0 1.0 C18 A:C8U1911 1.4 20.0 1.0 F21 A:C8U1911 2.2 20.0 1.0 F19 A:C8U1911 2.2 20.0 1.0 C17 A:C8U1911 2.4 20.0 1.0 C16 A:C8U1911 2.7 20.0 1.0 CG2 A:VAL932 3.6 55.7 1.0 CG1 A:VAL932 3.6 55.7 1.0 C12 A:C8U1911 3.6 20.0 1.0 CE1 A:PHE1060 4.0 49.6 1.0 CB A:VAL932 4.0 55.7 1.0 CD1 A:PHE1060 4.0 49.6 1.0 C15 A:C8U1911 4.1 20.0 1.0 CA A:VAL932 4.1 55.7 1.0 C04 A:C8U1911 4.2 20.0 1.0 OG1 A:THR935 4.3 48.0 1.0 O24 A:C8U1911 4.3 20.0 1.0 C2I A:3PE1903 4.3 20.0 1.0 C25 A:C8U1911 4.6 20.0 1.0 CG2 A:THR935 4.7 48.0 1.0 C13 A:C8U1911 4.7 20.0 1.0 N A:VAL932 4.8 55.7 1.0 C2G A:3PE1903 4.8 20.0 1.0 C2H A:3PE1903 4.8 20.0 1.0 CZ A:PHE1060 4.8 49.6 1.0 CG2 A:ILE931 4.9 64.0 1.0 C14 A:C8U1911 4.9 20.0 1.0 O A:ILE931 4.9 64.0 1.0 CG A:PHE1060 4.9 49.6 1.0

Fluorine binding site 3 out of 3 in the Rabbit CAV1.1 in the Presence of 100 Micromolar (S)-(-)-Bay K8644 in Nanodiscs at 3.0 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Rabbit CAV1.1 in the Presence of 100 Micromolar (S)-(-)-Bay K8644 in Nanodiscs at 3.0 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:F1911 b:20.0 occ:1.00 F21 A:C8U1911 0.0 20.0 1.0 C18 A:C8U1911 1.4 20.0 1.0 F20 A:C8U1911 2.2 20.0 1.0 F19 A:C8U1911 2.2 20.0 1.0 C17 A:C8U1911 2.4 20.0 1.0 O24 A:C8U1911 2.5 20.0 1.0 C04 A:C8U1911 2.7 20.0 1.0 C25 A:C8U1911 2.7 20.0 1.0 C12 A:C8U1911 2.8 20.0 1.0 C22 A:C8U1911 3.3 20.0 1.0 C03 A:C8U1911 3.4 20.0 1.0 C16 A:C8U1911 3.5 20.0 1.0 CG1 A:VAL932 3.8 55.7 1.0 O11 A:C8U1911 3.9 20.0 1.0 C05 A:C8U1911 3.9 20.0 1.0 OG1 A:THR935 4.0 48.0 1.0 C13 A:C8U1911 4.2 20.0 1.0 N09 A:C8U1911 4.2 20.0 1.0 O23 A:C8U1911 4.4 20.0 1.0 C2I A:3PE1903 4.6 20.0 1.0 C15 A:C8U1911 4.7 20.0 1.0 CB A:VAL932 4.9 55.7 1.0 C02 A:C8U1911 4.9 20.0 1.0 C14 A:C8U1911 4.9 20.0 1.0 SD A:MET1366 5.0 24.6 1.0 C2G A:3PE1903 5.0 20.0 1.0

N.Yan, S.Gao. Structural Basis of CAV1.1 Modulation By Dihydropyridine Compounds. Angew.Chem.Int.Ed.Engl. 2020.
ISSN: ESSN 1521-3773
PubMed: 33125829
DOI: 10.1002/ANIE.202011793