Bromine 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:

Calcium

(Ca)

2 atoms

The binding sites of Bromine 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 Bromine atom.
In total 5 binding sites of Bromine 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 Bromine binding site number: 1; 2; 3; 4; 5;

Bromine binding site 1 out of 5 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 Bromine with other atoms in the Br 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:Br701 b:0.9 occ:1.00 BR01 A:81F701 0.0 0.9 1.0 C17 A:81F701 1.9 0.9 1.0 C16 A:81F701 2.9 0.9 1.0 C18 A:81F701 2.9 0.9 1.0 N03 A:81F701 4.2 0.9 1.0 C15 A:81F701 4.2 0.9 1.0 CB B:ALA561 4.3 0.5 1.0 C19 A:81F701 4.7 0.9 1.0 CG2 B:ILE557 4.9 0.4 1.0

Bromine binding site 2 out of 5 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 Bromine with other atoms in the Br 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 B:Br701 b:0.2 occ:1.00 BR01 B:81F701 0.0 0.2 1.0 C17 B:81F701 1.9 0.2 1.0 C16 B:81F701 2.9 0.2 1.0 C18 B:81F701 2.9 0.2 1.0 N03 B:81F701 4.2 0.2 1.0 C15 B:81F701 4.2 0.2 1.0 CB C:ALA561 4.3 0.7 1.0 C19 B:81F701 4.7 0.2 1.0 CG2 C:ILE557 4.9 0.3 1.0

Bromine binding site 3 out of 5 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 Bromine with other atoms in the Br binding site number 3 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 C:Br701 b:0.7 occ:1.00 BR01 C:81F701 0.0 0.7 1.0 C17 C:81F701 1.9 0.7 1.0 C16 C:81F701 2.9 0.7 1.0 C18 C:81F701 2.9 0.7 1.0 N03 C:81F701 4.1 0.7 1.0 C15 C:81F701 4.2 0.7 1.0 CB D:ALA561 4.4 0.4 1.0 CG2 D:ILE557 4.4 0.6 1.0 C19 C:81F701 4.7 0.7 1.0 O D:ILE557 4.8 0.6 1.0

Bromine binding site 4 out of 5 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 Bromine with other atoms in the Br binding site number 4 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 D:Br701 b:0.8 occ:1.00 BR01 D:81F701 0.0 0.8 1.0 C17 D:81F701 1.9 0.8 1.0 C16 D:81F701 2.9 0.8 1.0 C18 D:81F701 2.9 0.8 1.0 N03 D:81F701 4.1 0.8 1.0 C15 D:81F701 4.2 0.8 1.0 CB A:ALA561 4.3 0.3 1.0 C19 D:81F701 4.7 0.8 1.0 CG2 A:ILE557 4.8 0.5 1.0

Bromine binding site 5 out of 5 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 Bromine with other atoms in the Br binding site number 5 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 D:Br702 b:0.9 occ:1.00 BR01 D:81F702 0.0 0.9 1.0 C17 D:81F702 1.9 0.9 1.0 C18 D:81F702 2.9 0.9 1.0 C16 D:81F702 2.9 0.9 1.0 N03 D:81F702 4.1 0.9 1.0 C15 D:81F702 4.2 0.9 1.0 C19 D:81F702 4.7 0.9 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