Fluorine 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:

Calcium

(Ca)

2 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 15;

Binding sites:

The binding sites of Fluorine 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 Fluorine atom.
In total 15 binding sites of Fluorine where determined in the Cryo-Em Structure of Human TRPV6 in Complex with (4- Phenylcyclohexyl)Piperazine Inhibitor 3OG, PDB code: 7k4d:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 15 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 Fluorine with other atoms in the F 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:F701 b:0.8 occ:1.00 F01 A:VUM701 0.0 0.8 1.0 C20 A:VUM701 1.4 0.8 1.0 F03 A:VUM701 2.2 0.8 1.0 F02 A:VUM701 2.2 0.8 1.0 C19 A:VUM701 2.4 0.8 1.0 C18 A:VUM701 2.8 0.8 1.0 CB A:GLN483 3.2 0.0 1.0 CG A:GLN483 3.4 0.0 1.0 C21 A:VUM701 3.5 0.8 1.0 CD A:GLN483 3.6 0.0 1.0 OE1 A:GLN483 3.7 0.0 1.0 CE2 A:PHE425 3.7 0.8 1.0 CZ A:PHE425 3.9 0.8 1.0 CA A:GLN483 3.9 0.0 1.0 CG A:PRO424 4.1 0.9 1.0 C17 A:VUM701 4.1 0.8 1.0 N A:GLN483 4.4 0.0 1.0 O A:THR479 4.4 0.2 1.0 NE2 A:GLN483 4.5 0.0 1.0 CD2 A:PHE425 4.6 0.8 1.0 C15 A:VUM701 4.8 0.8 1.0 CG2 A:THR479 4.8 0.2 1.0 CE1 A:PHE425 5.0 0.8 1.0 C16 A:VUM701 5.0 0.8 1.0

Fluorine binding site 2 out of 15 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 Fluorine with other atoms in the F 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:F701 b:0.8 occ:1.00 F02 A:VUM701 0.0 0.8 1.0 C20 A:VUM701 1.4 0.8 1.0 F03 A:VUM701 2.2 0.8 1.0 F01 A:VUM701 2.2 0.8 1.0 C19 A:VUM701 2.3 0.8 1.0 C21 A:VUM701 2.8 0.8 1.0 N A:GLN483 3.0 0.0 1.0 CA A:GLN483 3.2 0.0 1.0 CG2 A:ILE482 3.2 0.6 1.0 CB A:GLN483 3.3 0.0 1.0 C A:ILE482 3.4 0.6 1.0 C18 A:VUM701 3.4 0.8 1.0 O A:THR479 3.6 0.2 1.0 O A:ILE482 3.7 0.6 1.0 C15 A:VUM701 4.2 0.8 1.0 CB A:ILE482 4.2 0.6 1.0 CG A:GLN483 4.2 0.0 1.0 CA A:ILE482 4.3 0.6 1.0 C17 A:VUM701 4.5 0.8 1.0 CG1 A:ILE482 4.6 0.6 1.0 C A:GLN483 4.6 0.0 1.0 CG2 A:THR479 4.6 0.2 1.0 C A:THR479 4.7 0.2 1.0 C16 A:VUM701 4.8 0.8 1.0 CG2 A:ILE486 4.8 0.3 1.0 O02 A:VUM701 4.9 0.8 1.0 N A:ILE482 4.9 0.6 1.0

Fluorine binding site 3 out of 15 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 Fluorine with other atoms in the F binding site number 3 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:F701 b:0.8 occ:1.00 F03 A:VUM701 0.0 0.8 1.0 C20 A:VUM701 1.4 0.8 1.0 F02 A:VUM701 2.2 0.8 1.0 F01 A:VUM701 2.2 0.8 1.0 C19 A:VUM701 2.3 0.8 1.0 C21 A:VUM701 2.7 0.8 1.0 CZ A:PHE425 3.1 0.8 1.0 CG2 A:THR479 3.3 0.2 1.0 C18 A:VUM701 3.6 0.8 1.0 CE2 A:PHE425 3.6 0.8 1.0 CG A:MET466 4.0 0.6 1.0 O A:THR479 4.0 0.2 1.0 CE1 A:PHE425 4.1 0.8 1.0 C15 A:VUM701 4.1 0.8 1.0 CG2 A:ILE482 4.2 0.6 1.0 O02 A:VUM701 4.5 0.8 1.0 CB A:THR479 4.6 0.2 1.0 C17 A:VUM701 4.6 0.8 1.0 CB A:GLN483 4.7 0.0 1.0 C A:THR479 4.8 0.2 1.0 CD2 A:PHE425 4.9 0.8 1.0 C16 A:VUM701 4.9 0.8 1.0 CA A:THR479 4.9 0.2 1.0 N A:GLN483 4.9 0.0 1.0

Fluorine binding site 4 out of 15 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 Fluorine with other atoms in the F binding site number 4 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 B:F701 b:0.5 occ:1.00 F01 B:VUM701 0.0 0.5 1.0 C20 B:VUM701 1.4 0.5 1.0 F03 B:VUM701 2.2 0.5 1.0 F02 B:VUM701 2.3 0.5 1.0 C19 B:VUM701 2.4 0.5 1.0 C18 B:VUM701 2.8 0.5 1.0 CB B:GLN483 3.2 0.9 1.0 CG B:GLN483 3.4 0.9 1.0 C21 B:VUM701 3.5 0.5 1.0 CD B:GLN483 3.6 0.9 1.0 OE1 B:GLN483 3.6 0.9 1.0 CE2 B:PHE425 3.6 0.6 1.0 CZ B:PHE425 3.9 0.6 1.0 CA B:GLN483 3.9 0.9 1.0 CG B:PRO424 4.1 0.6 1.0 C17 B:VUM701 4.1 0.5 1.0 O B:THR479 4.4 99.2 1.0 N B:GLN483 4.4 0.9 1.0 NE2 B:GLN483 4.5 0.9 1.0 CD2 B:PHE425 4.5 0.6 1.0 CG2 B:THR479 4.7 99.2 1.0 C15 B:VUM701 4.8 0.5 1.0 CE1 B:PHE425 5.0 0.6 1.0 C16 B:VUM701 5.0 0.5 1.0

Fluorine binding site 5 out of 15 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 Fluorine with other atoms in the F binding site number 5 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 B:F701 b:0.5 occ:1.00 F02 B:VUM701 0.0 0.5 1.0 C20 B:VUM701 1.4 0.5 1.0 F03 B:VUM701 2.2 0.5 1.0 F01 B:VUM701 2.3 0.5 1.0 C19 B:VUM701 2.3 0.5 1.0 C21 B:VUM701 2.8 0.5 1.0 N B:GLN483 3.0 0.9 1.0 CA B:GLN483 3.2 0.9 1.0 CG2 B:ILE482 3.2 99.9 1.0 CB B:GLN483 3.3 0.9 1.0 C B:ILE482 3.5 99.9 1.0 C18 B:VUM701 3.5 0.5 1.0 O B:THR479 3.6 99.2 1.0 O B:ILE482 3.8 99.9 1.0 C15 B:VUM701 4.2 0.5 1.0 CG B:GLN483 4.2 0.9 1.0 CB B:ILE482 4.2 99.9 1.0 CA B:ILE482 4.4 99.9 1.0 C17 B:VUM701 4.5 0.5 1.0 CG2 B:THR479 4.6 99.2 1.0 C B:GLN483 4.6 0.9 1.0 CG1 B:ILE482 4.7 99.9 1.0 C B:THR479 4.7 99.2 1.0 C16 B:VUM701 4.8 0.5 1.0 O02 B:VUM701 4.9 0.5 1.0 CG2 B:ILE486 4.9 98.3 1.0 N B:ILE482 4.9 99.9 1.0 OE1 B:GLN483 5.0 0.9 1.0 CD B:GLN483 5.0 0.9 1.0

Fluorine binding site 6 out of 15 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 Fluorine with other atoms in the F binding site number 6 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 B:F701 b:0.5 occ:1.00 F03 B:VUM701 0.0 0.5 1.0 C20 B:VUM701 1.4 0.5 1.0 F02 B:VUM701 2.2 0.5 1.0 F01 B:VUM701 2.2 0.5 1.0 C19 B:VUM701 2.3 0.5 1.0 C21 B:VUM701 2.7 0.5 1.0 CZ B:PHE425 3.1 0.6 1.0 CG2 B:THR479 3.3 99.2 1.0 CE2 B:PHE425 3.6 0.6 1.0 C18 B:VUM701 3.6 0.5 1.0 CG B:MET466 4.0 0.3 1.0 O B:THR479 4.0 99.2 1.0 C15 B:VUM701 4.1 0.5 1.0 CE1 B:PHE425 4.1 0.6 1.0 CG2 B:ILE482 4.2 99.9 1.0 O02 B:VUM701 4.5 0.5 1.0 CB B:THR479 4.6 99.2 1.0 C17 B:VUM701 4.6 0.5 1.0 CB B:GLN483 4.7 0.9 1.0 C B:THR479 4.7 99.2 1.0 CD2 B:PHE425 4.9 0.6 1.0 C16 B:VUM701 4.9 0.5 1.0 CA B:THR479 4.9 99.2 1.0 N B:GLN483 4.9 0.9 1.0

Fluorine binding site 7 out of 15 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 Fluorine with other atoms in the F binding site number 7 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 C:F701 b:0.5 occ:1.00 F01 C:VUM701 0.0 0.5 1.0 C20 C:VUM701 1.4 0.5 1.0 F03 C:VUM701 2.2 0.5 1.0 F02 C:VUM701 2.3 0.5 1.0 C19 C:VUM701 2.4 0.5 1.0 C18 C:VUM701 2.8 0.5 1.0 CB C:GLN483 3.2 0.3 1.0 CG C:GLN483 3.3 0.3 1.0 C21 C:VUM701 3.5 0.5 1.0 CD C:GLN483 3.5 0.3 1.0 OE1 C:GLN483 3.5 0.3 1.0 CE2 C:PHE425 3.7 0.1 1.0 CA C:GLN483 3.9 0.3 1.0 CZ C:PHE425 3.9 0.1 1.0 CG C:PRO424 4.0 0.2 1.0 C17 C:VUM701 4.1 0.5 1.0 NE2 C:GLN483 4.4 0.3 1.0 N C:GLN483 4.4 0.3 1.0 O C:THR479 4.4 0.5 1.0 CD2 C:PHE425 4.5 0.1 1.0 C15 C:VUM701 4.8 0.5 1.0 CG2 C:THR479 4.8 0.5 1.0 C16 C:VUM701 5.0 0.5 1.0 CE1 C:PHE425 5.0 0.1 1.0

Fluorine binding site 8 out of 15 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 Fluorine with other atoms in the F binding site number 8 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 C:F701 b:0.5 occ:1.00 F02 C:VUM701 0.0 0.5 1.0 C20 C:VUM701 1.4 0.5 1.0 F03 C:VUM701 2.2 0.5 1.0 F01 C:VUM701 2.3 0.5 1.0 C19 C:VUM701 2.3 0.5 1.0 C21 C:VUM701 2.8 0.5 1.0 N C:GLN483 3.1 0.3 1.0 CA C:GLN483 3.2 0.3 1.0 CG2 C:ILE482 3.3 0.8 1.0 CB C:GLN483 3.3 0.3 1.0 C18 C:VUM701 3.5 0.5 1.0 C C:ILE482 3.5 0.8 1.0 O C:THR479 3.7 0.5 1.0 O C:ILE482 3.8 0.8 1.0 C15 C:VUM701 4.2 0.5 1.0 CG C:GLN483 4.2 0.3 1.0 CB C:ILE482 4.3 0.8 1.0 CA C:ILE482 4.4 0.8 1.0 C17 C:VUM701 4.5 0.5 1.0 C C:GLN483 4.6 0.3 1.0 CG2 C:THR479 4.7 0.5 1.0 CG1 C:ILE482 4.7 0.8 1.0 C C:THR479 4.8 0.5 1.0 CG2 C:ILE486 4.8 0.3 1.0 C16 C:VUM701 4.8 0.5 1.0 O02 C:VUM701 4.8 0.5 1.0 CD C:GLN483 5.0 0.3 1.0 N C:ILE482 5.0 0.8 1.0 OE1 C:GLN483 5.0 0.3 1.0

Fluorine binding site 9 out of 15 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 Fluorine with other atoms in the F binding site number 9 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 C:F701 b:0.5 occ:1.00 F03 C:VUM701 0.0 0.5 1.0 C20 C:VUM701 1.4 0.5 1.0 F02 C:VUM701 2.2 0.5 1.0 F01 C:VUM701 2.2 0.5 1.0 C19 C:VUM701 2.3 0.5 1.0 C21 C:VUM701 2.7 0.5 1.0 CZ C:PHE425 3.1 0.1 1.0 CG2 C:THR479 3.3 0.5 1.0 CE2 C:PHE425 3.6 0.1 1.0 C18 C:VUM701 3.6 0.5 1.0 O C:THR479 4.0 0.5 1.0 CG C:MET466 4.0 0.0 1.0 CE1 C:PHE425 4.1 0.1 1.0 C15 C:VUM701 4.1 0.5 1.0 CG2 C:ILE482 4.3 0.8 1.0 O02 C:VUM701 4.5 0.5 1.0 CB C:GLN483 4.6 0.3 1.0 C17 C:VUM701 4.7 0.5 1.0 CB C:THR479 4.7 0.5 1.0 C C:THR479 4.7 0.5 1.0 CD2 C:PHE425 4.8 0.1 1.0 C16 C:VUM701 4.9 0.5 1.0 CA C:THR479 4.9 0.5 1.0 N C:GLN483 4.9 0.3 1.0

Fluorine binding site 10 out of 15 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 Fluorine with other atoms in the F binding site number 10 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 D:F701 b:0.2 occ:1.00 F01 D:VUM701 0.0 0.2 1.0 C20 D:VUM701 1.4 0.2 1.0 F03 D:VUM701 2.2 0.2 1.0 F02 D:VUM701 2.3 0.2 1.0 C19 D:VUM701 2.4 0.2 1.0 C18 D:VUM701 2.8 0.2 1.0 CB D:GLN483 3.2 0.1 1.0 CG D:GLN483 3.4 0.1 1.0 C21 D:VUM701 3.5 0.2 1.0 CD D:GLN483 3.7 0.1 1.0 OE1 D:GLN483 3.7 0.1 1.0 CE2 D:PHE425 3.7 0.2 1.0 CA D:GLN483 3.9 0.1 1.0 CZ D:PHE425 4.0 0.2 1.0 CG D:PRO424 4.1 0.3 1.0 C17 D:VUM701 4.1 0.2 1.0 N D:GLN483 4.4 0.1 1.0 O D:THR479 4.5 98.1 1.0 NE2 D:GLN483 4.5 0.1 1.0 CD2 D:PHE425 4.6 0.2 1.0 C15 D:VUM701 4.8 0.2 1.0 CG2 D:THR479 4.8 98.1 1.0 C16 D:VUM701 5.0 0.2 1.0 CE1 D:PHE425 5.0 0.2 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