Chlorine in PDB 7s8c: Cryo-Em Structure of Human TRPV6 in Complex with Inhibitor Econazole

The structure of Cryo-Em Structure of Human TRPV6 in Complex with Inhibitor Econazole also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Chlorine atom in the Cryo-Em Structure of Human TRPV6 in Complex with Inhibitor Econazole (pdb code 7s8c). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 13 binding sites of Chlorine where determined in the Cryo-Em Structure of Human TRPV6 in Complex with Inhibitor Econazole, PDB code: 7s8c:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 13 in the Cryo-Em Structure of Human TRPV6 in Complex with Inhibitor Econazole


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cryo-Em Structure of Human TRPV6 in Complex with Inhibitor Econazole within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:18.1 occ:1.00 CL2 A:ECL701 0.0 18.1 1.0 C11 A:ECL701 1.8 18.1 1.0 C13 A:ECL701 2.7 18.1 1.0 C9 A:ECL701 2.7 18.1 1.0 CB A:MET466 3.5 25.9 1.0 CD1 B:LEU496 3.5 16.9 1.0 CG B:LEU496 3.6 16.9 1.0 CA A:MET466 3.6 25.9 1.0 CG2 B:VAL499 3.6 7.9 1.0 N A:MET466 4.0 25.9 1.0 CA B:LEU496 4.0 16.9 1.0 O B:TRP495 4.0 21.5 1.0 C2 A:ECL701 4.0 18.1 1.0 CB B:VAL499 4.0 7.9 1.0 C10 A:ECL701 4.0 18.1 1.0 CG1 B:VAL499 4.3 7.9 1.0 C A:VAL465 4.3 18.4 1.0 CB B:LEU496 4.3 16.9 1.0 O A:VAL465 4.3 18.4 1.0 C B:TRP495 4.4 21.5 1.0 N B:LEU496 4.4 16.9 1.0 CE A:MET466 4.5 25.9 1.0 C1 A:ECL701 4.5 18.1 1.0 CB A:ALA469 4.6 26.8 1.0 CG1 A:VAL465 4.7 18.4 1.0 CG A:MET466 4.8 25.9 1.0 CD2 B:LEU496 4.8 16.9 1.0 C A:MET466 5.0 25.9 1.0 CD1 A:LEU475 5.0 36.1 1.0

Chlorine binding site 2 out of 13 in the Cryo-Em Structure of Human TRPV6 in Complex with Inhibitor Econazole


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Cryo-Em Structure of Human TRPV6 in Complex with Inhibitor Econazole within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:18.1 occ:1.00 CL4 A:ECL701 0.0 18.1 1.0 C14 A:ECL701 1.8 18.1 1.0 C15 A:ECL701 2.7 18.1 1.0 C5 A:ECL701 2.8 18.1 1.0 SD A:MET474 3.5 44.2 1.0 CB A:MET474 3.5 44.2 1.0 CE A:MET474 3.7 44.2 1.0 CG A:MET474 4.0 44.2 1.0 C16 A:ECL701 4.0 18.1 1.0 C21 A:ECL701 4.0 18.1 1.0 C17 A:ECL701 4.5 18.1 1.0 CA A:MET474 4.9 44.2 1.0

Chlorine binding site 3 out of 13 in the Cryo-Em Structure of Human TRPV6 in Complex with Inhibitor Econazole


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Cryo-Em Structure of Human TRPV6 in Complex with Inhibitor Econazole within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:18.1 occ:1.00 CL8 A:ECL701 0.0 18.1 1.0 C16 A:ECL701 1.8 18.1 1.0 C15 A:ECL701 2.7 18.1 1.0 C17 A:ECL701 2.8 18.1 1.0 C20 A:ECL701 3.1 18.1 1.0 CE1 A:PHE472 3.4 31.5 1.0 C19 A:ECL701 3.5 18.1 1.0 C7 A:ECL701 3.8 18.1 1.0 CD1 A:PHE472 4.0 31.5 1.0 C14 A:ECL701 4.0 18.1 1.0 C21 A:ECL701 4.1 18.1 1.0 N1 A:ECL701 4.1 18.1 1.0 CZ A:PHE472 4.1 31.5 1.0 O20 A:ECL701 4.4 18.1 1.0 C5 A:ECL701 4.6 18.1 1.0 C8 A:ECL701 5.0 18.1 1.0

Chlorine binding site 4 out of 13 in the Cryo-Em Structure of Human TRPV6 in Complex with Inhibitor Econazole


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Cryo-Em Structure of Human TRPV6 in Complex with Inhibitor Econazole within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl710 b:34.5 occ:1.00 CZ3 B:TRP583 4.5 86.2 1.0 CZ3 A:TRP583 4.5 84.5 1.0 CZ3 D:TRP583 4.5 88.0 1.0 CZ3 C:TRP583 4.5 94.7 1.0

Chlorine binding site 5 out of 13 in the Cryo-Em Structure of Human TRPV6 in Complex with Inhibitor Econazole


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Cryo-Em Structure of Human TRPV6 in Complex with Inhibitor Econazole within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl701 b:20.2 occ:1.00 CL2 B:ECL701 0.0 20.2 1.0 C11 B:ECL701 1.8 20.2 1.0 C13 B:ECL701 2.7 20.2 1.0 C9 B:ECL701 2.7 20.2 1.0 CB B:MET466 3.5 26.8 1.0 CD1 C:LEU496 3.5 16.0 1.0 CG C:LEU496 3.6 16.0 1.0 CA B:MET466 3.6 26.8 1.0 CG2 C:VAL499 3.6 6.8 1.0 CA C:LEU496 3.9 16.0 1.0 N B:MET466 3.9 26.8 1.0 O C:TRP495 4.0 21.0 1.0 CB C:VAL499 4.0 6.8 1.0 C2 B:ECL701 4.0 20.2 1.0 C10 B:ECL701 4.0 20.2 1.0 CG1 C:VAL499 4.2 6.8 1.0 C B:VAL465 4.3 19.1 1.0 CB C:LEU496 4.3 16.0 1.0 O B:VAL465 4.3 19.1 1.0 C C:TRP495 4.4 21.0 1.0 N C:LEU496 4.4 16.0 1.0 CE B:MET466 4.5 26.8 1.0 C1 B:ECL701 4.5 20.2 1.0 CB B:ALA469 4.6 27.7 1.0 CG1 B:VAL465 4.7 19.1 1.0 CG B:MET466 4.7 26.8 1.0 CD2 C:LEU496 4.8 16.0 1.0 C B:MET466 5.0 26.8 1.0

Chlorine binding site 6 out of 13 in the Cryo-Em Structure of Human TRPV6 in Complex with Inhibitor Econazole


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Cryo-Em Structure of Human TRPV6 in Complex with Inhibitor Econazole within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl701 b:20.2 occ:1.00 CL4 B:ECL701 0.0 20.2 1.0 C14 B:ECL701 1.8 20.2 1.0 C15 B:ECL701 2.7 20.2 1.0 C5 B:ECL701 2.8 20.2 1.0 SD B:MET474 3.5 45.5 1.0 CB B:MET474 3.5 45.5 1.0 CE B:MET474 3.7 45.5 1.0 CG B:MET474 4.0 45.5 1.0 C16 B:ECL701 4.0 20.2 1.0 C21 B:ECL701 4.0 20.2 1.0 C17 B:ECL701 4.5 20.2 1.0 CA B:MET474 4.9 45.5 1.0

Chlorine binding site 7 out of 13 in the Cryo-Em Structure of Human TRPV6 in Complex with Inhibitor Econazole


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Cryo-Em Structure of Human TRPV6 in Complex with Inhibitor Econazole within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl701 b:20.2 occ:1.00 CL8 B:ECL701 0.0 20.2 1.0 C16 B:ECL701 1.8 20.2 1.0 C15 B:ECL701 2.7 20.2 1.0 C17 B:ECL701 2.8 20.2 1.0 C20 B:ECL701 3.1 20.2 1.0 CE1 B:PHE472 3.4 32.7 1.0 C19 B:ECL701 3.5 20.2 1.0 C7 B:ECL701 3.8 20.2 1.0 CD1 B:PHE472 4.0 32.7 1.0 C14 B:ECL701 4.0 20.2 1.0 C21 B:ECL701 4.1 20.2 1.0 CZ B:PHE472 4.1 32.7 1.0 N1 B:ECL701 4.1 20.2 1.0 O20 B:ECL701 4.4 20.2 1.0 C5 B:ECL701 4.6 20.2 1.0 C8 B:ECL701 5.0 20.2 1.0

Chlorine binding site 8 out of 13 in the Cryo-Em Structure of Human TRPV6 in Complex with Inhibitor Econazole


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Cryo-Em Structure of Human TRPV6 in Complex with Inhibitor Econazole within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl701 b:14.4 occ:1.00 CL2 C:ECL701 0.0 14.4 1.0 C11 C:ECL701 1.8 14.4 1.0 C13 C:ECL701 2.7 14.4 1.0 C9 C:ECL701 2.7 14.4 1.0 CB C:MET466 3.5 25.8 1.0 CD1 D:LEU496 3.5 16.1 1.0 CG D:LEU496 3.6 16.1 1.0 CA C:MET466 3.6 25.8 1.0 CG2 D:VAL499 3.6 7.3 1.0 CA D:LEU496 3.9 16.1 1.0 N C:MET466 4.0 25.8 1.0 O D:TRP495 4.0 20.6 1.0 CB D:VAL499 4.0 7.3 1.0 C2 C:ECL701 4.0 14.4 1.0 C10 C:ECL701 4.0 14.4 1.0 CG1 D:VAL499 4.2 7.3 1.0 C C:VAL465 4.3 17.6 1.0 CB D:LEU496 4.3 16.1 1.0 O C:VAL465 4.3 17.6 1.0 C D:TRP495 4.4 20.6 1.0 N D:LEU496 4.4 16.1 1.0 CE C:MET466 4.5 25.8 1.0 C1 C:ECL701 4.5 14.4 1.0 CB C:ALA469 4.6 25.9 1.0 CG1 C:VAL465 4.7 17.6 1.0 CG C:MET466 4.8 25.8 1.0 CD2 D:LEU496 4.8 16.1 1.0 C C:MET466 5.0 25.8 1.0 CD1 C:LEU475 5.0 36.0 1.0

Chlorine binding site 9 out of 13 in the Cryo-Em Structure of Human TRPV6 in Complex with Inhibitor Econazole


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Cryo-Em Structure of Human TRPV6 in Complex with Inhibitor Econazole within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl701 b:14.4 occ:1.00 CL4 C:ECL701 0.0 14.4 1.0 C14 C:ECL701 1.8 14.4 1.0 C15 C:ECL701 2.7 14.4 1.0 C5 C:ECL701 2.8 14.4 1.0 SD C:MET474 3.5 44.8 1.0 CB C:MET474 3.5 44.8 1.0 CE C:MET474 3.7 44.8 1.0 CG C:MET474 4.0 44.8 1.0 C16 C:ECL701 4.0 14.4 1.0 C21 C:ECL701 4.0 14.4 1.0 C17 C:ECL701 4.5 14.4 1.0 CA C:MET474 4.9 44.8 1.0

Chlorine binding site 10 out of 13 in the Cryo-Em Structure of Human TRPV6 in Complex with Inhibitor Econazole


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Cryo-Em Structure of Human TRPV6 in Complex with Inhibitor Econazole within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl701 b:14.4 occ:1.00 CL8 C:ECL701 0.0 14.4 1.0 C16 C:ECL701 1.8 14.4 1.0 C15 C:ECL701 2.7 14.4 1.0 C17 C:ECL701 2.8 14.4 1.0 C20 C:ECL701 3.1 14.4 1.0 CE1 C:PHE472 3.4 30.9 1.0 C19 C:ECL701 3.5 14.4 1.0 C7 C:ECL701 3.8 14.4 1.0 CD1 C:PHE472 4.0 30.9 1.0 C14 C:ECL701 4.0 14.4 1.0 C21 C:ECL701 4.1 14.4 1.0 N1 C:ECL701 4.1 14.4 1.0 CZ C:PHE472 4.1 30.9 1.0 O20 C:ECL701 4.4 14.4 1.0 C5 C:ECL701 4.6 14.4 1.0 C8 C:ECL701 5.0 14.4 1.0

A.Neuberger, K.D.Nadezhdin, A.I.Sobolevsky. Structural Mechanisms of TRPV6 Inhibition By Ruthenium Red and Econazole. Nat Commun V. 12 6284 2021.
ISSN: ESSN 2041-1723
PubMed: 34725357
DOI: 10.1038/S41467-021-26608-X