Fluorine in PDB 7jpw: Rabbit CAV1.1 in the Presence of 100 Micromolar (R)-(+)-Bay K8644 in Nanodiscs at 3.2 Angstrom Resolution

The structure of Rabbit CAV1.1 in the Presence of 100 Micromolar (R)-(+)-Bay K8644 in Nanodiscs at 3.2 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 (R)-(+)-Bay K8644 in Nanodiscs at 3.2 Angstrom Resolution (pdb code 7jpw). 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 (R)-(+)-Bay K8644 in Nanodiscs at 3.2 Angstrom Resolution, PDB code: 7jpw:
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 (R)-(+)-Bay K8644 in Nanodiscs at 3.2 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 (R)-(+)-Bay K8644 in Nanodiscs at 3.2 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:F1912 b:65.2 occ:1.00 F23 A:VFY1912 0.0 65.2 1.0 C22 A:VFY1912 1.4 65.2 1.0 O13 A:VFY1912 2.2 65.2 1.0 F25 A:VFY1912 2.2 65.2 1.0 F24 A:VFY1912 2.2 65.2 1.0 C21 A:VFY1912 2.4 65.2 1.0 C16 A:VFY1912 3.1 65.2 1.0 C15 A:VFY1912 3.2 65.2 1.0 N12 A:VFY1912 3.3 65.2 1.0 C20 A:VFY1912 3.3 65.2 1.0 OG1 A:THR935 3.4 74.0 1.0 C11 A:VFY1912 3.6 65.2 1.0 CG1 A:VAL932 3.9 85.8 1.0 O14 A:VFY1912 4.2 65.2 1.0 CG2 A:VAL932 4.3 85.8 1.0 C17 A:VFY1912 4.3 65.2 1.0 O A:VAL932 4.4 85.8 1.0 CB A:VAL932 4.4 85.8 1.0 CA A:VAL932 4.4 85.8 1.0 CB A:THR935 4.5 74.0 1.0 C19 A:VFY1912 4.5 65.2 1.0 C05 A:VFY1912 4.5 65.2 1.0 CG2 A:THR935 4.6 74.0 1.0 C2I A:3PE1904 4.7 20.0 1.0 C04 A:VFY1912 4.9 65.2 1.0 C18 A:VFY1912 4.9 65.2 1.0 C A:VAL932 4.9 85.8 1.0 C02 A:VFY1912 4.9 65.2 1.0

Fluorine binding site 2 out of 3 in the Rabbit CAV1.1 in the Presence of 100 Micromolar (R)-(+)-Bay K8644 in Nanodiscs at 3.2 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 (R)-(+)-Bay K8644 in Nanodiscs at 3.2 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:F1912 b:65.2 occ:1.00 F24 A:VFY1912 0.0 65.2 1.0 C22 A:VFY1912 1.4 65.2 1.0 F25 A:VFY1912 2.2 65.2 1.0 F23 A:VFY1912 2.2 65.2 1.0 C21 A:VFY1912 2.4 65.2 1.0 C20 A:VFY1912 2.7 65.2 1.0 CG2 A:VAL932 3.3 85.8 1.0 C16 A:VFY1912 3.6 65.2 1.0 CD1 A:PHE1060 3.7 74.3 1.0 CE1 A:PHE1060 3.7 74.3 1.0 C19 A:VFY1912 4.1 65.2 1.0 C2I A:3PE1904 4.1 20.0 1.0 CB A:VAL932 4.1 85.8 1.0 CG1 A:VAL932 4.2 85.8 1.0 C15 A:VFY1912 4.2 65.2 1.0 CG A:PHE1060 4.3 74.3 1.0 CZ A:PHE1060 4.3 74.3 1.0 C04 A:VFY1912 4.3 65.2 1.0 O13 A:VFY1912 4.4 65.2 1.0 CA A:VAL932 4.4 85.8 1.0 C17 A:VFY1912 4.7 65.2 1.0 CD2 A:PHE1060 4.8 74.3 1.0 CE2 A:PHE1060 4.8 74.3 1.0 OG1 A:THR935 4.8 74.0 1.0 CB A:PHE1060 4.9 74.3 1.0 C18 A:VFY1912 4.9 65.2 1.0 O03 A:VFY1912 4.9 65.2 1.0 CG2 A:THR935 5.0 74.0 1.0

Fluorine binding site 3 out of 3 in the Rabbit CAV1.1 in the Presence of 100 Micromolar (R)-(+)-Bay K8644 in Nanodiscs at 3.2 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 (R)-(+)-Bay K8644 in Nanodiscs at 3.2 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:F1912 b:65.2 occ:1.00 F25 A:VFY1912 0.0 65.2 1.0 C22 A:VFY1912 1.4 65.2 1.0 F24 A:VFY1912 2.2 65.2 1.0 F23 A:VFY1912 2.2 65.2 1.0 C21 A:VFY1912 2.4 65.2 1.0 C15 A:VFY1912 2.7 65.2 1.0 C04 A:VFY1912 2.7 65.2 1.0 C16 A:VFY1912 2.8 65.2 1.0 C2I A:3PE1904 3.0 20.0 1.0 O03 A:VFY1912 3.2 65.2 1.0 C02 A:VFY1912 3.2 65.2 1.0 C05 A:VFY1912 3.4 65.2 1.0 O13 A:VFY1912 3.4 65.2 1.0 C20 A:VFY1912 3.5 65.2 1.0 O01 A:VFY1912 3.8 65.2 1.0 C11 A:VFY1912 3.9 65.2 1.0 N12 A:VFY1912 4.2 65.2 1.0 C17 A:VFY1912 4.2 65.2 1.0 C2H A:3PE1904 4.4 20.0 1.0 C19 A:VFY1912 4.7 65.2 1.0 C06 A:VFY1912 4.9 65.2 1.0 C18 A:VFY1912 4.9 65.2 1.0 CG2 A:VAL932 5.0 85.8 1.0 CE1 A:PHE1060 5.0 74.3 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