Calcium in PDB 7k4d: Cryo-Em Structure of Human TRPV6 in Complex with (4- Phenylcyclohexyl)Piperazine Inhibitor 3OG

The structure of Cryo-Em Structure of Human TRPV6 in Complex with (4- Phenylcyclohexyl)Piperazine Inhibitor 3OG also contains other interesting chemical elements:

Fluorine

(F)

15 atoms

The binding sites of Calcium atom in the Cryo-Em Structure of Human TRPV6 in Complex with (4- Phenylcyclohexyl)Piperazine Inhibitor 3OG (pdb code 7k4d). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Cryo-Em Structure of Human TRPV6 in Complex with (4- Phenylcyclohexyl)Piperazine Inhibitor 3OG, PDB code: 7k4d:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Cryo-Em Structure of Human TRPV6 in Complex with (4- Phenylcyclohexyl)Piperazine Inhibitor 3OG


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Cryo-Em Structure of Human TRPV6 in Complex with (4- Phenylcyclohexyl)Piperazine Inhibitor 3OG within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca702 b:32.0 occ:1.00 OD1 D:ASP542 2.6 95.5 1.0 OD1 B:ASP542 2.6 95.1 1.0 OD1 C:ASP542 2.6 0.2 1.0 OD1 A:ASP542 2.7 99.5 1.0 CG D:ASP542 3.7 95.5 1.0 CG B:ASP542 3.7 95.1 1.0 CG C:ASP542 3.8 0.2 1.0 CG A:ASP542 3.9 99.5 1.0 CA A:CA703 4.2 23.4 1.0 OD2 D:ASP542 4.4 95.5 1.0 OD2 C:ASP542 4.4 0.2 1.0 OD2 B:ASP542 4.4 95.1 1.0 OD2 A:ASP542 4.5 99.5 1.0 CA D:ASP542 4.7 95.5 1.0 CA B:ASP542 4.7 95.1 1.0 CB D:ASP542 4.7 95.5 1.0 CB B:ASP542 4.8 95.1 1.0 CA C:ASP542 4.8 0.2 1.0 CB C:ASP542 4.9 0.2 1.0 CA A:ASP542 4.9 99.5 1.0 CB A:ASP542 4.9 99.5 1.0

Calcium binding site 2 out of 2 in the Cryo-Em Structure of Human TRPV6 in Complex with (4- Phenylcyclohexyl)Piperazine Inhibitor 3OG


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Cryo-Em Structure of Human TRPV6 in Complex with (4- Phenylcyclohexyl)Piperazine Inhibitor 3OG within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca703 b:23.4 occ:1.00 O C:THR539 4.1 99.7 1.0 O D:THR539 4.2 88.9 1.0 CA A:CA702 4.2 32.0 1.0 O B:THR539 4.4 89.7 1.0 O A:THR539 4.4 93.3 1.0

R.Bhardwaj, S.Lindinger, A.Neuberger, K.D.Nadezhdin, A.K.Singh, M.R.Cunha, I.Derler, G.Gyimesi, J.L.Reymond, M.A.Hediger, C.Romanin, A.I.Sobolevsky. Inactivation-Mimicking Block of the Epithelial Calcium Channel TRPV6. Sci Adv V. 6 2020.
ISSN: ESSN 2375-2548
PubMed: 33246965
DOI: 10.1126/SCIADV.ABE1508