Fluorine in PDB 7k4f: Cryo-Em Structure of Human TRPV6 in Complex with (4- Phenylcyclohexyl)Piperazine Inhibitor 31

Other elements in 7k4f:

The structure of Cryo-Em Structure of Human TRPV6 in Complex with (4- Phenylcyclohexyl)Piperazine Inhibitor 31 also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Fluorine Binding Sites:

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 31 (pdb code 7k4f). 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 31, PDB code: 7k4f:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 15 in 7k4f

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Fluorine binding site 1 out of 15 in the Cryo-Em Structure of Human TRPV6 in Complex with (4- Phenylcyclohexyl)Piperazine Inhibitor 31


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 31 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F701

b:0.1
occ:1.00
F01 A:5GK701 0.0 0.1 1.0
C20 A:5GK701 1.4 0.1 1.0
F02 A:5GK701 2.2 0.1 1.0
F03 A:5GK701 2.2 0.1 1.0
C19 A:5GK701 2.3 0.1 1.0
C21 A:5GK701 2.5 0.1 1.0
CB A:GLN483 3.3 0.1 1.0
OE1 A:GLN483 3.6 0.1 1.0
CG A:GLN483 3.7 0.1 1.0
C18 A:5GK701 3.8 0.1 1.0
CD A:GLN483 3.9 0.1 1.0
CA A:GLN483 3.9 0.1 1.0
CZ A:PHE425 4.0 0.0 1.0
C15 A:5GK701 4.1 0.1 1.0
N A:GLN483 4.3 0.1 1.0
CG A:PRO424 4.3 0.3 1.0
CE1 A:PHE425 4.3 0.0 1.0
CE2 A:PHE425 4.6 0.0 1.0
CB A:PRO424 4.8 0.3 1.0
C17 A:5GK701 4.8 0.1 1.0
CD A:PRO424 4.8 0.3 1.0
NE2 A:GLN483 4.9 0.1 1.0
C14 A:5GK701 4.9 0.1 1.0
O A:THR479 4.9 0.8 1.0
C16 A:5GK701 4.9 0.1 1.0

Fluorine binding site 2 out of 15 in 7k4f

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Fluorine binding site 2 out of 15 in the Cryo-Em Structure of Human TRPV6 in Complex with (4- Phenylcyclohexyl)Piperazine Inhibitor 31


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 31 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F701

b:0.1
occ:1.00
F02 A:5GK701 0.0 0.1 1.0
C20 A:5GK701 1.4 0.1 1.0
F01 A:5GK701 2.2 0.1 1.0
F03 A:5GK701 2.3 0.1 1.0
C19 A:5GK701 2.4 0.1 1.0
C18 A:5GK701 3.0 0.1 1.0
CZ A:PHE425 3.1 0.0 1.0
CG2 A:THR479 3.3 0.8 1.0
C21 A:5GK701 3.4 0.1 1.0
CE2 A:PHE425 3.9 0.0 1.0
SD A:MET466 3.9 1.0 1.0
CE1 A:PHE425 3.9 0.0 1.0
O A:THR479 4.2 0.8 1.0
C17 A:5GK701 4.3 0.1 1.0
CG A:MET466 4.3 1.0 1.0
C15 A:5GK701 4.6 0.1 1.0
CB A:THR479 4.7 0.8 1.0
CB A:GLN483 4.7 0.1 1.0
C A:THR479 4.8 0.8 1.0
OE1 A:GLN483 5.0 0.1 1.0
N A:GLN483 5.0 0.1 1.0
C16 A:5GK701 5.0 0.1 1.0

Fluorine binding site 3 out of 15 in 7k4f

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Fluorine binding site 3 out of 15 in the Cryo-Em Structure of Human TRPV6 in Complex with (4- Phenylcyclohexyl)Piperazine Inhibitor 31


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 31 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F701

b:0.1
occ:1.00
F03 A:5GK701 0.0 0.1 1.0
C20 A:5GK701 1.4 0.1 1.0
F01 A:5GK701 2.2 0.1 1.0
F02 A:5GK701 2.3 0.1 1.0
C19 A:5GK701 2.3 0.1 1.0
N A:GLN483 2.9 0.1 1.0
C18 A:5GK701 3.1 0.1 1.0
O A:THR479 3.3 0.8 1.0
C21 A:5GK701 3.3 0.1 1.0
CA A:GLN483 3.3 0.1 1.0
CB A:GLN483 3.3 0.1 1.0
CG2 A:ILE482 3.4 0.5 1.0
CB A:ILE482 3.4 0.5 1.0
C A:ILE482 3.5 0.5 1.0
CA A:ILE482 4.0 0.5 1.0
O A:ILE482 4.3 0.5 1.0
C17 A:5GK701 4.3 0.1 1.0
CG2 A:THR479 4.4 0.8 1.0
C A:THR479 4.4 0.8 1.0
CG A:GLN483 4.4 0.1 1.0
N A:ILE482 4.5 0.5 1.0
C15 A:5GK701 4.5 0.1 1.0
CG1 A:ILE482 4.7 0.5 1.0
OE1 A:GLN483 4.8 0.1 1.0
C A:GLN483 4.8 0.1 1.0
CD1 A:ILE482 4.9 0.5 1.0
C16 A:5GK701 5.0 0.1 1.0

Fluorine binding site 4 out of 15 in 7k4f

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Fluorine binding site 4 out of 15 in the Cryo-Em Structure of Human TRPV6 in Complex with (4- Phenylcyclohexyl)Piperazine Inhibitor 31


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 31 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F702

b:99.2
occ:1.00
F01 A:5GK702 0.0 99.2 1.0
C20 A:5GK702 1.4 99.2 1.0
F03 A:5GK702 2.2 99.2 1.0
F02 A:5GK702 2.2 99.2 1.0
C19 A:5GK702 2.3 99.2 1.0
C18 A:5GK702 2.8 99.2 1.0
C21 A:5GK702 3.5 99.2 1.0
C17 A:5GK702 4.1 99.2 1.0
CD1 A:ILE575 4.2 0.5 1.0
O D:ILE575 4.2 0.2 1.0
CA D:GLY579 4.3 0.4 1.0
O A:ILE575 4.6 0.5 1.0
CD1 D:ILE575 4.7 0.2 1.0
C15 A:5GK702 4.7 99.2 1.0
CA A:ALA576 4.9 0.8 1.0
N D:GLY579 4.9 0.4 1.0
C16 A:5GK702 4.9 99.2 1.0

Fluorine binding site 5 out of 15 in 7k4f

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Fluorine binding site 5 out of 15 in the Cryo-Em Structure of Human TRPV6 in Complex with (4- Phenylcyclohexyl)Piperazine Inhibitor 31


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 31 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F702

b:99.2
occ:1.00
F02 A:5GK702 0.0 99.2 1.0
C20 A:5GK702 1.4 99.2 1.0
F01 A:5GK702 2.2 99.2 1.0
F03 A:5GK702 2.2 99.2 1.0
C19 A:5GK702 2.4 99.2 1.0
C21 A:5GK702 2.7 99.2 1.0
CA C:GLY579 3.6 0.8 1.0
C18 A:5GK702 3.7 99.2 1.0
O C:ILE575 4.1 0.8 1.0
C15 A:5GK702 4.2 99.2 1.0
N C:GLY579 4.4 0.8 1.0
C C:GLY579 4.4 0.8 1.0
CA D:ALA576 4.5 0.3 1.0
O D:ILE575 4.6 0.2 1.0
CD1 D:ILE575 4.7 0.2 1.0
C17 A:5GK702 4.8 99.2 1.0
O D:ALA576 4.8 0.3 1.0
O C:GLY579 4.9 0.8 1.0

Fluorine binding site 6 out of 15 in 7k4f

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Fluorine binding site 6 out of 15 in the Cryo-Em Structure of Human TRPV6 in Complex with (4- Phenylcyclohexyl)Piperazine Inhibitor 31


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 31 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F702

b:99.2
occ:1.00
F03 A:5GK702 0.0 99.2 1.0
C20 A:5GK702 1.4 99.2 1.0
F01 A:5GK702 2.2 99.2 1.0
F02 A:5GK702 2.2 99.2 1.0
C19 A:5GK702 2.4 99.2 1.0
C18 A:5GK702 3.1 99.2 1.0
C21 A:5GK702 3.3 99.2 1.0
CA B:GLY579 4.2 0.1 1.0
O B:ILE575 4.2 0.3 1.0
C17 A:5GK702 4.3 99.2 1.0
CD1 C:ILE575 4.4 0.8 1.0
C15 A:5GK702 4.6 99.2 1.0
CD1 B:ILE575 4.7 0.3 1.0
O C:ILE575 4.8 0.8 1.0
N B:GLY579 4.9 0.1 1.0
C16 A:5GK702 5.0 99.2 1.0
CA C:ALA576 5.0 0.4 1.0

Fluorine binding site 7 out of 15 in 7k4f

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Fluorine binding site 7 out of 15 in the Cryo-Em Structure of Human TRPV6 in Complex with (4- Phenylcyclohexyl)Piperazine Inhibitor 31


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 31 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F701

b:0.1
occ:1.00
F01 B:5GK701 0.0 0.1 1.0
C20 B:5GK701 1.4 0.1 1.0
F02 B:5GK701 2.2 0.1 1.0
F03 B:5GK701 2.2 0.1 1.0
C19 B:5GK701 2.3 0.1 1.0
C21 B:5GK701 2.5 0.1 1.0
CB B:GLN483 3.3 0.8 1.0
OE1 B:GLN483 3.6 0.8 1.0
CG B:GLN483 3.7 0.8 1.0
C18 B:5GK701 3.8 0.1 1.0
CD B:GLN483 3.9 0.8 1.0
CZ B:PHE425 3.9 0.0 1.0
CA B:GLN483 3.9 0.8 1.0
C15 B:5GK701 4.1 0.1 1.0
N B:GLN483 4.3 0.8 1.0
CE1 B:PHE425 4.3 0.0 1.0
CG B:PRO424 4.4 0.6 1.0
CE2 B:PHE425 4.5 0.0 1.0
C17 B:5GK701 4.8 0.1 1.0
O B:THR479 4.8 0.5 1.0
CB B:PRO424 4.8 0.6 1.0
C14 B:5GK701 4.8 0.1 1.0
CD B:PRO424 4.9 0.6 1.0
NE2 B:GLN483 4.9 0.8 1.0
C16 B:5GK701 4.9 0.1 1.0
CG2 B:THR479 5.0 0.5 1.0

Fluorine binding site 8 out of 15 in 7k4f

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Fluorine binding site 8 out of 15 in the Cryo-Em Structure of Human TRPV6 in Complex with (4- Phenylcyclohexyl)Piperazine Inhibitor 31


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 31 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F701

b:0.1
occ:1.00
F02 B:5GK701 0.0 0.1 1.0
C20 B:5GK701 1.4 0.1 1.0
F01 B:5GK701 2.2 0.1 1.0
F03 B:5GK701 2.3 0.1 1.0
C19 B:5GK701 2.4 0.1 1.0
C18 B:5GK701 3.0 0.1 1.0
CZ B:PHE425 3.2 0.0 1.0
CG2 B:THR479 3.3 0.5 1.0
C21 B:5GK701 3.3 0.1 1.0
SD B:MET466 3.9 0.9 1.0
CE2 B:PHE425 3.9 0.0 1.0
CE1 B:PHE425 4.0 0.0 1.0
O B:THR479 4.1 0.5 1.0
C17 B:5GK701 4.3 0.1 1.0
CG B:MET466 4.3 0.9 1.0
C15 B:5GK701 4.6 0.1 1.0
CB B:THR479 4.7 0.5 1.0
CB B:GLN483 4.8 0.8 1.0
C B:THR479 4.8 0.5 1.0
C16 B:5GK701 5.0 0.1 1.0
CA B:THR479 5.0 0.5 1.0
N B:GLN483 5.0 0.8 1.0

Fluorine binding site 9 out of 15 in 7k4f

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Fluorine binding site 9 out of 15 in the Cryo-Em Structure of Human TRPV6 in Complex with (4- Phenylcyclohexyl)Piperazine Inhibitor 31


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 31 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F701

b:0.1
occ:1.00
F03 B:5GK701 0.0 0.1 1.0
C20 B:5GK701 1.4 0.1 1.0
F01 B:5GK701 2.2 0.1 1.0
F02 B:5GK701 2.3 0.1 1.0
C19 B:5GK701 2.4 0.1 1.0
N B:GLN483 2.9 0.8 1.0
C18 B:5GK701 3.1 0.1 1.0
O B:THR479 3.2 0.5 1.0
C21 B:5GK701 3.3 0.1 1.0
CA B:GLN483 3.3 0.8 1.0
CB B:GLN483 3.3 0.8 1.0
CB B:ILE482 3.4 0.2 1.0
CG2 B:ILE482 3.4 0.2 1.0
C B:ILE482 3.5 0.2 1.0
CA B:ILE482 4.0 0.2 1.0
CG2 B:THR479 4.3 0.5 1.0
O B:ILE482 4.3 0.2 1.0
C B:THR479 4.3 0.5 1.0
C17 B:5GK701 4.3 0.1 1.0
CG B:GLN483 4.5 0.8 1.0
N B:ILE482 4.5 0.2 1.0
C15 B:5GK701 4.6 0.1 1.0
CG1 B:ILE482 4.7 0.2 1.0
OE1 B:GLN483 4.8 0.8 1.0
C B:GLN483 4.8 0.8 1.0
CD1 B:ILE482 4.9 0.2 1.0
C16 B:5GK701 5.0 0.1 1.0
CA B:THR479 5.0 0.5 1.0

Fluorine binding site 10 out of 15 in 7k4f

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Fluorine binding site 10 out of 15 in the Cryo-Em Structure of Human TRPV6 in Complex with (4- Phenylcyclohexyl)Piperazine Inhibitor 31


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 31 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F701

b:0.2
occ:1.00
F01 C:5GK701 0.0 0.2 1.0
C20 C:5GK701 1.4 0.2 1.0
F02 C:5GK701 2.2 0.2 1.0
F03 C:5GK701 2.2 0.2 1.0
C19 C:5GK701 2.3 0.2 1.0
C21 C:5GK701 2.6 0.2 1.0
CB C:GLN483 3.3 0.9 1.0
OE1 C:GLN483 3.6 0.9 1.0
CG C:GLN483 3.7 0.9 1.0
C18 C:5GK701 3.8 0.2 1.0
CD C:GLN483 3.8 0.9 1.0
CZ C:PHE425 3.9 0.6 1.0
CA C:GLN483 4.0 0.9 1.0
C15 C:5GK701 4.1 0.2 1.0
CE1 C:PHE425 4.3 0.6 1.0
N C:GLN483 4.3 0.9 1.0
CG C:PRO424 4.4 0.6 1.0
CE2 C:PHE425 4.5 0.6 1.0
CB C:PRO424 4.8 0.6 1.0
C17 C:5GK701 4.8 0.2 1.0
CD C:PRO424 4.8 0.6 1.0
O C:THR479 4.8 0.1 1.0
C14 C:5GK701 4.9 0.2 1.0
NE2 C:GLN483 4.9 0.9 1.0
C16 C:5GK701 4.9 0.2 1.0
CG2 C:THR479 5.0 0.1 1.0

Reference:

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
Page generated: Fri Aug 2 08:12:50 2024

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