Fluorine in PDB 4xdl: Crystal Structure of Human Two Pore Domain Potassium Ion Channel TREK2 (K2P10.1) in Complex with A Brominated Fluoxetine Derivative.

The structure of Crystal Structure of Human Two Pore Domain Potassium Ion Channel TREK2 (K2P10.1) in Complex with A Brominated Fluoxetine Derivative., PDB code: 4xdl was solved by A.Mackenzie, A.C.W.Pike, Y.Y.Dong, S.Mukhopadhyay, G.F.Ruda, P.E.Brennan, C.H.Arrowsmith, A.M.Edwards, C.Bountra, N.A.Burgess-Brown, E.P.Carpenter, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.00 / 3.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	101.710, 109.840, 166.740, 90.00, 90.00, 90.00
R / Rfree (%)	23.5 / 26.3

The structure of Crystal Structure of Human Two Pore Domain Potassium Ion Channel TREK2 (K2P10.1) in Complex with A Brominated Fluoxetine Derivative. also contains other interesting chemical elements:

Potassium	(K)	6 atoms
Cadmium	(Cd)	2 atoms
Bromine	(Br)	4 atoms

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>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Fluorine atom in the Crystal Structure of Human Two Pore Domain Potassium Ion Channel TREK2 (K2P10.1) in Complex with A Brominated Fluoxetine Derivative. (pdb code 4xdl). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the Crystal Structure of Human Two Pore Domain Potassium Ion Channel TREK2 (K2P10.1) in Complex with A Brominated Fluoxetine Derivative., PDB code: 4xdl:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 12 in the Crystal Structure of Human Two Pore Domain Potassium Ion Channel TREK2 (K2P10.1) in Complex with A Brominated Fluoxetine Derivative.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Human Two Pore Domain Potassium Ion Channel TREK2 (K2P10.1) in Complex with A Brominated Fluoxetine Derivative. within 5.0Å range: probe atom residue distance (Å) B Occ A:F605 b:0.3 occ:1.00 F2 A:40D605 0.0 0.3 1.0 C16 A:40D605 1.3 0.8 1.0 F1 A:40D605 2.1 0.1 1.0 F A:40D605 2.1 0.8 1.0 C13 A:40D605 2.4 0.3 1.0 C12 A:40D605 2.9 0.8 1.0 CG2 A:VAL253 3.4 1.0 1.0 CZ A:PHE316 3.5 0.6 1.0 C14 A:40D605 3.5 0.9 1.0 CE1 A:PHE316 3.8 0.6 1.0 CE2 A:PHE316 3.8 0.8 1.0 C11 A:40D605 4.2 0.5 1.0 CD1 A:PHE316 4.4 0.4 1.0 CD2 A:PHE316 4.4 0.6 1.0 C15 A:40D605 4.6 0.0 1.0 CG A:PHE316 4.7 0.1 1.0 SG A:CYS249 4.7 0.3 1.0 CB A:VAL253 4.8 0.2 1.0 CD1 A:LEU279 4.9 0.4 1.0 C10 A:40D605 5.0 0.4 1.0

Fluorine binding site 2 out of 12 in the Crystal Structure of Human Two Pore Domain Potassium Ion Channel TREK2 (K2P10.1) in Complex with A Brominated Fluoxetine Derivative.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Human Two Pore Domain Potassium Ion Channel TREK2 (K2P10.1) in Complex with A Brominated Fluoxetine Derivative. within 5.0Å range: probe atom residue distance (Å) B Occ A:F605 b:0.8 occ:1.00 F A:40D605 0.0 0.8 1.0 C16 A:40D605 1.3 0.8 1.0 F2 A:40D605 2.1 0.3 1.0 F1 A:40D605 2.1 0.1 1.0 C13 A:40D605 2.4 0.3 1.0 C14 A:40D605 2.7 0.9 1.0 C12 A:40D605 3.6 0.8 1.0 CG1 B:ILE194 3.8 0.5 1.0 C15 A:40D605 4.1 0.0 1.0 CD1 B:ILE194 4.2 0.4 1.0 CG2 A:VAL276 4.7 0.7 1.0 C11 A:40D605 4.8 0.5 1.0 CG2 A:VAL253 4.8 1.0 1.0 CG1 A:VAL276 4.8 0.3 1.0 CG2 A:THR280 4.8 0.0 1.0 C10 A:40D605 5.0 0.4 1.0

Fluorine binding site 3 out of 12 in the Crystal Structure of Human Two Pore Domain Potassium Ion Channel TREK2 (K2P10.1) in Complex with A Brominated Fluoxetine Derivative.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Human Two Pore Domain Potassium Ion Channel TREK2 (K2P10.1) in Complex with A Brominated Fluoxetine Derivative. within 5.0Å range: probe atom residue distance (Å) B Occ A:F605 b:0.1 occ:1.00 F1 A:40D605 0.0 0.1 1.0 C16 A:40D605 1.3 0.8 1.0 F2 A:40D605 2.1 0.3 1.0 F A:40D605 2.1 0.8 1.0 C13 A:40D605 2.3 0.3 1.0 C12 A:40D605 3.0 0.8 1.0 C14 A:40D605 3.4 0.9 1.0 CB A:LEU279 4.0 0.6 1.0 CA A:VAL276 4.0 99.8 1.0 CG2 A:VAL253 4.1 1.0 1.0 CG2 A:THR280 4.3 0.0 1.0 CG2 A:VAL276 4.3 0.7 1.0 O A:VAL276 4.3 0.0 1.0 C11 A:40D605 4.3 0.5 1.0 CB A:VAL276 4.5 0.2 1.0 CG1 A:VAL276 4.5 0.3 1.0 C15 A:40D605 4.6 0.0 1.0 CD1 A:LEU279 4.7 0.4 1.0 C A:VAL276 4.7 0.6 1.0 O A:VAL275 4.7 0.2 1.0 C A:LEU279 4.8 0.1 1.0 N A:THR280 4.9 0.3 1.0 N A:VAL276 4.9 0.3 1.0 CG A:LEU279 4.9 0.6 1.0 CA A:LEU279 4.9 0.9 1.0 CG1 A:VAL253 4.9 0.6 1.0 C10 A:40D605 5.0 0.4 1.0

Fluorine binding site 4 out of 12 in the Crystal Structure of Human Two Pore Domain Potassium Ion Channel TREK2 (K2P10.1) in Complex with A Brominated Fluoxetine Derivative.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Human Two Pore Domain Potassium Ion Channel TREK2 (K2P10.1) in Complex with A Brominated Fluoxetine Derivative. within 5.0Å range: probe atom residue distance (Å) B Occ B:F402 b:0.3 occ:1.00 F2 B:40D402 0.0 0.3 1.0 C16 B:40D402 1.3 0.1 1.0 F B:40D402 2.1 0.5 1.0 F1 B:40D402 2.1 0.5 1.0 C13 B:40D402 2.4 0.8 1.0 C12 B:40D402 2.9 0.0 1.0 CG2 B:VAL253 3.5 0.3 1.0 C14 B:40D402 3.5 0.1 1.0 CZ B:PHE316 3.5 0.8 1.0 CE1 B:PHE316 3.9 0.2 1.0 CE2 B:PHE316 3.9 0.4 1.0 C11 B:40D402 4.2 0.8 1.0 CD1 B:PHE316 4.4 0.5 1.0 CD2 B:PHE316 4.4 0.8 1.0 C15 B:40D402 4.7 0.9 1.0 CD1 B:LEU279 4.7 0.0 1.0 CG B:PHE316 4.7 0.2 1.0 CB B:VAL253 4.8 0.1 1.0 SG B:CYS249 4.9 0.7 1.0 CG1 B:VAL253 5.0 0.8 1.0 C10 B:40D402 5.0 1.0 1.0

Fluorine binding site 5 out of 12 in the Crystal Structure of Human Two Pore Domain Potassium Ion Channel TREK2 (K2P10.1) in Complex with A Brominated Fluoxetine Derivative.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of Human Two Pore Domain Potassium Ion Channel TREK2 (K2P10.1) in Complex with A Brominated Fluoxetine Derivative. within 5.0Å range: probe atom residue distance (Å) B Occ B:F402 b:0.5 occ:1.00 F B:40D402 0.0 0.5 1.0 C16 B:40D402 1.3 0.1 1.0 F2 B:40D402 2.1 0.3 1.0 F1 B:40D402 2.1 0.5 1.0 C13 B:40D402 2.4 0.8 1.0 C14 B:40D402 2.7 0.1 1.0 C12 B:40D402 3.6 0.0 1.0 C15 B:40D402 4.1 0.9 1.0 CG1 A:ILE194 4.2 0.1 1.0 CD1 A:ILE194 4.3 1.0 1.0 CG2 B:VAL276 4.7 0.7 1.0 C11 B:40D402 4.8 0.8 1.0 CG1 B:VAL276 4.9 0.3 1.0 CG2 B:VAL253 4.9 0.3 1.0 C10 B:40D402 5.0 1.0 1.0

Fluorine binding site 6 out of 12 in the Crystal Structure of Human Two Pore Domain Potassium Ion Channel TREK2 (K2P10.1) in Complex with A Brominated Fluoxetine Derivative.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of Human Two Pore Domain Potassium Ion Channel TREK2 (K2P10.1) in Complex with A Brominated Fluoxetine Derivative. within 5.0Å range: probe atom residue distance (Å) B Occ B:F402 b:0.5 occ:1.00 F1 B:40D402 0.0 0.5 1.0 C16 B:40D402 1.3 0.1 1.0 F B:40D402 2.1 0.5 1.0 F2 B:40D402 2.1 0.3 1.0 C13 B:40D402 2.4 0.8 1.0 C12 B:40D402 3.1 0.0 1.0 C14 B:40D402 3.3 0.1 1.0 CB B:LEU279 3.9 0.0 1.0 CD1 B:LEU279 4.0 0.0 1.0 CA B:VAL276 4.1 0.9 1.0 CG2 B:VAL253 4.1 0.3 1.0 CG2 B:VAL276 4.3 0.7 1.0 C11 B:40D402 4.3 0.8 1.0 O B:VAL276 4.4 0.8 1.0 C15 B:40D402 4.5 0.9 1.0 CB B:VAL276 4.5 0.8 1.0 CG1 B:VAL276 4.6 0.3 1.0 CG B:LEU279 4.6 1.0 1.0 O B:VAL275 4.7 0.2 1.0 CG2 B:THR280 4.8 1.0 1.0 C B:VAL276 4.8 0.3 1.0 N B:VAL276 4.9 0.1 1.0 CG1 B:VAL253 4.9 0.8 1.0 C10 B:40D402 4.9 1.0 1.0

Fluorine binding site 7 out of 12 in the Crystal Structure of Human Two Pore Domain Potassium Ion Channel TREK2 (K2P10.1) in Complex with A Brominated Fluoxetine Derivative.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Crystal Structure of Human Two Pore Domain Potassium Ion Channel TREK2 (K2P10.1) in Complex with A Brominated Fluoxetine Derivative. within 5.0Å range: probe atom residue distance (Å) B Occ C:F604 b:0.1 occ:1.00 F2 C:40D604 0.0 0.1 1.0 C16 C:40D604 1.3 0.6 1.0 F C:40D604 2.1 0.4 1.0 F1 C:40D604 2.1 0.5 1.0 C13 C:40D604 2.4 0.2 1.0 C12 C:40D604 2.9 0.8 1.0 CG2 C:VAL253 3.5 0.6 1.0 C14 C:40D604 3.5 0.9 1.0 C11 C:40D604 4.2 0.7 1.0 C15 C:40D604 4.7 0.2 1.0 CB C:VAL253 4.8 0.8 1.0 SG C:CYS249 4.8 0.5 1.0 CD1 C:LEU279 4.9 0.7 1.0 CG1 C:VAL253 4.9 0.6 1.0 C10 C:40D604 5.0 0.3 1.0

Fluorine binding site 8 out of 12 in the Crystal Structure of Human Two Pore Domain Potassium Ion Channel TREK2 (K2P10.1) in Complex with A Brominated Fluoxetine Derivative.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Crystal Structure of Human Two Pore Domain Potassium Ion Channel TREK2 (K2P10.1) in Complex with A Brominated Fluoxetine Derivative. within 5.0Å range: probe atom residue distance (Å) B Occ C:F604 b:0.4 occ:1.00 F C:40D604 0.0 0.4 1.0 C16 C:40D604 1.3 0.6 1.0 F2 C:40D604 2.1 0.1 1.0 F1 C:40D604 2.1 0.5 1.0 C13 C:40D604 2.4 0.2 1.0 C14 C:40D604 2.7 0.9 1.0 C12 C:40D604 3.6 0.8 1.0 CG1 D:ILE194 3.9 0.3 1.0 CD1 D:ILE194 4.1 0.6 1.0 C15 C:40D604 4.1 0.2 1.0 CG2 C:VAL276 4.7 0.7 1.0 C11 C:40D604 4.8 0.7 1.0 CG1 C:VAL276 4.9 0.3 1.0 CG2 C:VAL253 5.0 0.6 1.0 CG2 C:THR280 5.0 1.0 1.0 C10 C:40D604 5.0 0.3 1.0

Fluorine binding site 9 out of 12 in the Crystal Structure of Human Two Pore Domain Potassium Ion Channel TREK2 (K2P10.1) in Complex with A Brominated Fluoxetine Derivative.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Crystal Structure of Human Two Pore Domain Potassium Ion Channel TREK2 (K2P10.1) in Complex with A Brominated Fluoxetine Derivative. within 5.0Å range: probe atom residue distance (Å) B Occ C:F604 b:0.5 occ:1.00 F1 C:40D604 0.0 0.5 1.0 C16 C:40D604 1.3 0.6 1.0 F C:40D604 2.1 0.4 1.0 F2 C:40D604 2.1 0.1 1.0 C13 C:40D604 2.4 0.2 1.0 C12 C:40D604 3.0 0.8 1.0 C14 C:40D604 3.4 0.9 1.0 CA C:VAL276 4.0 0.4 1.0 CG2 C:VAL253 4.1 0.6 1.0 CB C:LEU279 4.1 0.2 1.0 CG2 C:VAL276 4.2 0.7 1.0 C11 C:40D604 4.3 0.7 1.0 CD1 C:LEU279 4.3 0.7 1.0 O C:VAL276 4.4 0.5 1.0 CB C:VAL276 4.5 0.6 1.0 CG2 C:THR280 4.5 1.0 1.0 CG1 C:VAL276 4.5 0.3 1.0 C15 C:40D604 4.5 0.2 1.0 C C:VAL276 4.8 0.6 1.0 O C:VAL275 4.9 0.0 1.0 N C:VAL276 4.9 0.2 1.0 CG C:LEU279 4.9 0.5 1.0 CG1 C:VAL253 4.9 0.6 1.0 C10 C:40D604 5.0 0.3 1.0

Fluorine binding site 10 out of 12 in the Crystal Structure of Human Two Pore Domain Potassium Ion Channel TREK2 (K2P10.1) in Complex with A Brominated Fluoxetine Derivative.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Crystal Structure of Human Two Pore Domain Potassium Ion Channel TREK2 (K2P10.1) in Complex with A Brominated Fluoxetine Derivative. within 5.0Å range: probe atom residue distance (Å) B Occ D:F404 b:0.2 occ:1.00 F2 D:40D404 0.0 0.2 1.0 C16 D:40D404 1.3 0.6 1.0 F1 D:40D404 2.1 0.9 1.0 F D:40D404 2.1 0.9 1.0 C13 D:40D404 2.4 0.1 1.0 C12 D:40D404 2.9 0.1 1.0 CG2 D:VAL253 3.5 0.1 1.0 CZ D:PHE316 3.5 0.5 1.0 C14 D:40D404 3.5 0.4 1.0 CE1 D:PHE316 3.8 0.8 1.0 CE2 D:PHE316 3.8 0.5 1.0 C11 D:40D404 4.2 0.1 1.0 CD1 D:PHE316 4.4 0.7 1.0 CD2 D:PHE316 4.4 0.6 1.0 C15 D:40D404 4.6 0.8 1.0 CD1 D:LEU279 4.7 0.8 1.0 CG D:PHE316 4.7 0.2 1.0 SG D:CYS249 4.7 0.8 1.0 CB D:VAL253 4.8 1.0 1.0 C10 D:40D404 5.0 0.7 1.0

A.C.W.Pike, A.Mackenzie, C.Mcclenaghan, P.Aryal, L.Dong, A.Quigley, M.Grieben, S.Goubin, S.Mukhopadhyay, G.F.Ruda, M.V.Clausen, L.Cao, P.E.Brennan, N.A.Burgess-Brown, M.S.P.Sansom, S.J.Tucker, E.P.Carpenter. K2P Channel Gating Mechanisms Revealed By Structures of Trek-2 and A Complex with Prozac Science V. 347 2015.
ISSN: ESSN 1095-9203
DOI: 10.1126/SCIENCE.1261512