Calcium in PDB 7k4c: Cryo-Em Structure of Human TRPV6 in Complex with (4- Phenylcyclohexyl)Piperazine Inhibitor Br-Cis-22A

The structure of Cryo-Em Structure of Human TRPV6 in Complex with (4- Phenylcyclohexyl)Piperazine Inhibitor Br-Cis-22A also contains other interesting chemical elements:

Bromine

(Br)

5 atoms

The binding sites of Calcium atom in the Cryo-Em Structure of Human TRPV6 in Complex with (4- Phenylcyclohexyl)Piperazine Inhibitor Br-Cis-22A (pdb code 7k4c). 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 Br-Cis-22A, PDB code: 7k4c:
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 Br-Cis-22A


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 Br-Cis-22A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca702 b:0.6 occ:1.00 OD1 A:ASP542 2.9 0.6 1.0 OD1 B:ASP542 3.0 0.7 1.0 OD1 C:ASP542 3.0 0.1 1.0 OD1 D:ASP542 3.2 1.0 1.0 CG A:ASP542 4.1 0.6 1.0 CG B:ASP542 4.2 0.7 1.0 CG C:ASP542 4.2 0.1 1.0 CG D:ASP542 4.4 1.0 1.0 O A:ILE540 4.6 0.9 1.0 O B:ILE540 4.7 0.2 1.0 O D:ILE540 4.7 0.7 1.0 O C:ILE540 4.8 0.5 1.0 OD2 A:ASP542 4.9 0.6 1.0 CA A:ASP542 4.9 0.6 1.0 OD2 B:ASP542 4.9 0.7 1.0 OD2 C:ASP542 5.0 0.1 1.0

Calcium binding site 2 out of 2 in the Cryo-Em Structure of Human TRPV6 in Complex with (4- Phenylcyclohexyl)Piperazine Inhibitor Br-Cis-22A


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 Br-Cis-22A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca703 b:0.6 occ:1.00 OG1 A:THR539 4.2 0.5 1.0 OG1 B:THR539 4.2 0.3 1.0 OG1 C:THR539 4.3 0.6 1.0 OG1 D:THR539 4.4 0.8 1.0 O A:THR539 4.6 0.5 1.0 O B:THR539 4.7 0.3 1.0 CB A:THR539 4.7 0.5 1.0 O C:THR539 4.8 0.6 1.0 CB B:THR539 4.8 0.3 1.0 O D:THR539 4.8 0.8 1.0 CB C:THR539 4.8 0.6 1.0 CB D:THR539 5.0 0.8 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