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

Protein crystallography data

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

Other elements in 4xdl:

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:

Fluorine (F) 12 atoms
Cadmium (Cd) 2 atoms
Bromine (Br) 4 atoms

Potassium Binding Sites:

The binding sites of Potassium 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 Potassium atom.
In total 6 binding sites of Potassium 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 Potassium binding site number: 1; 2; 3; 4; 5; 6;

Potassium binding site 1 out of 6 in 4xdl

Go back to Potassium Binding Sites List in 4xdl
Potassium binding site 1 out of 6 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 Potassium with other atoms in the K 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:K601

b:0.5
occ:1.00
 O B:GLY283 2.3 0.7 1.0
O A:GLY283 2.3 0.5 1.0
O B:GLY174 2.8 0.3 1.0
O A:GLY174 2.8 0.8 1.0
O A:ILE173 2.9 0.1 1.0
O A:VAL282 3.0 0.2 1.0
O B:VAL282 3.0 0.1 1.0
O B:ILE173 3.0 96.8 1.0
C B:GLY283 3.4 0.6 1.0
C A:GLY283 3.4 0.4 1.0
K B:K401 3.4 0.9 1.0
C A:GLY174 3.5 0.1 1.0
C B:GLY174 3.6 0.1 1.0
O B:TYR175 3.9 0.2 1.0
O A:TYR175 4.0 0.3 1.0
C A:ILE173 4.0 0.9 1.0
CA B:GLY283 4.1 0.2 1.0
C A:VAL282 4.1 0.3 1.0
CA A:GLY283 4.1 0.8 1.0
C B:VAL282 4.1 0.5 1.0
CA A:GLY174 4.1 0.6 1.0
C B:ILE173 4.2 97.4 1.0
N A:TYR175 4.2 0.7 1.0
CA B:GLY174 4.3 95.1 1.0
N B:TYR175 4.3 98.8 1.0
C B:TYR175 4.4 0.8 1.0
N B:PHE284 4.4 0.5 1.0
C A:TYR175 4.4 0.4 1.0
N A:PHE284 4.4 99.7 1.0
CA A:TYR175 4.5 0.8 1.0
N A:GLY174 4.5 0.5 1.0
N B:GLY283 4.5 0.7 1.0
N A:GLY283 4.5 0.2 1.0
CA B:TYR175 4.5 99.9 1.0
N B:GLY174 4.7 94.9 1.0
CA B:PHE284 4.7 0.4 1.0
CA A:PHE284 4.7 99.1 1.0

Potassium binding site 2 out of 6 in 4xdl

Go back to Potassium Binding Sites List in 4xdl
Potassium binding site 2 out of 6 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 Potassium with other atoms in the K 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:K602

b:0.3
occ:1.00
 O B:THR281 2.7 0.5 1.0
OG1 A:THR172 2.8 0.2 1.0
O A:THR172 2.8 0.7 1.0
O B:THR172 2.8 98.8 1.0
OG1 B:THR172 2.9 98.8 1.0
OG1 B:THR281 2.9 0.6 1.0
O A:THR281 3.0 0.2 1.0
OG1 A:THR281 3.0 0.7 1.0
CB A:THR172 3.4 0.3 1.0
CB B:THR281 3.5 0.9 1.0
K B:K401 3.6 0.9 1.0
CB A:THR281 3.6 0.8 1.0
C B:THR281 3.7 0.5 1.0
CB B:THR172 3.7 98.7 1.0
C A:THR172 3.7 0.7 1.0
C B:THR172 3.8 98.7 1.0
C A:THR281 3.9 0.9 1.0
CA A:THR172 4.2 0.9 1.0
CA B:THR281 4.2 0.8 1.0
CA B:THR172 4.4 94.5 1.0
CA A:THR281 4.4 0.8 1.0
CG2 A:THR172 4.6 0.0 1.0
N B:ILE173 4.8 94.2 1.0
CG2 B:THR281 4.8 0.3 1.0
N B:VAL282 4.8 0.6 1.0
N A:ILE173 4.9 0.6 1.0
CG2 A:THR281 4.9 0.8 1.0
O B:THR171 4.9 0.5 1.0
O B:THR280 5.0 0.8 1.0
CG2 B:THR172 5.0 96.1 1.0

Potassium binding site 3 out of 6 in 4xdl

Go back to Potassium Binding Sites List in 4xdl
Potassium binding site 3 out of 6 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 Potassium with other atoms in the K 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
B:K401

b:0.9
occ:1.00
 O A:THR281 2.7 0.2 1.0
O B:VAL282 2.7 0.1 1.0
O B:ILE173 2.8 96.8 1.0
O A:VAL282 2.8 0.2 1.0
O A:THR172 2.8 0.7 1.0
O B:THR172 2.8 98.8 1.0
O B:THR281 2.8 0.5 1.0
O A:ILE173 2.9 0.1 1.0
K A:K601 3.4 0.5 1.0
C B:ILE173 3.4 97.4 1.0
C B:VAL282 3.5 0.5 1.0
C A:VAL282 3.6 0.3 1.0
C A:ILE173 3.6 0.9 1.0
K A:K602 3.6 0.3 1.0
C A:THR281 3.8 0.9 1.0
C B:THR172 3.8 98.7 1.0
C A:THR172 3.9 0.7 1.0
CA B:ILE173 3.9 93.2 1.0
C B:THR281 3.9 0.5 1.0
CA A:ILE173 4.0 0.2 1.0
CA A:VAL282 4.0 98.6 1.0
CA B:VAL282 4.1 0.3 1.0
N B:ILE173 4.3 94.2 1.0
N A:VAL282 4.4 0.8 1.0
N A:ILE173 4.4 0.6 1.0
N B:GLY283 4.4 0.7 1.0
N B:GLY174 4.4 94.9 1.0
N B:VAL282 4.4 0.6 1.0
N A:GLY174 4.5 0.5 1.0
N A:GLY283 4.5 0.2 1.0
O B:GLY283 4.7 0.7 1.0
CA B:GLY283 4.8 0.2 1.0
O A:GLY283 4.8 0.5 1.0
CA A:GLY283 4.9 0.8 1.0
CA A:GLY174 4.9 0.6 1.0
CA B:GLY174 4.9 95.1 1.0
CA A:THR281 5.0 0.8 1.0

Potassium binding site 4 out of 6 in 4xdl

Go back to Potassium Binding Sites List in 4xdl
Potassium binding site 4 out of 6 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 Potassium with other atoms in the K 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
C:K601

b:0.8
occ:1.00
 O C:GLY283 2.3 0.3 1.0
O D:GLY283 2.4 0.5 1.0
O D:GLY174 2.8 0.3 1.0
O C:GLY174 2.8 0.1 1.0
O C:ILE173 2.8 0.2 1.0
O D:ILE173 2.9 0.4 1.0
O C:VAL282 2.9 0.4 1.0
O D:VAL282 3.0 0.5 1.0
C C:GLY283 3.4 0.0 1.0
C D:GLY174 3.4 0.1 1.0
C C:GLY174 3.4 0.9 1.0
K C:K602 3.4 0.1 1.0
C D:GLY283 3.5 0.6 1.0
O C:TYR175 3.9 0.1 1.0
C C:ILE173 4.0 0.3 1.0
O D:TYR175 4.0 0.4 1.0
C C:VAL282 4.0 0.3 1.0
C D:ILE173 4.1 0.3 1.0
CA C:GLY283 4.1 0.8 1.0
C D:VAL282 4.1 0.1 1.0
CA D:GLY283 4.1 0.3 1.0
N C:TYR175 4.2 0.3 1.0
CA D:GLY174 4.2 0.1 1.0
CA C:GLY174 4.2 0.3 1.0
N D:TYR175 4.2 0.8 1.0
C C:TYR175 4.4 0.2 1.0
C D:TYR175 4.4 0.1 1.0
CA C:TYR175 4.4 0.1 1.0
N C:PHE284 4.4 0.5 1.0
CA D:TYR175 4.5 0.6 1.0
N C:GLY283 4.5 0.0 1.0
N C:GLY174 4.5 0.8 1.0
N D:PHE284 4.5 0.6 1.0
N D:GLY174 4.5 0.8 1.0
N D:GLY283 4.5 0.8 1.0
CA C:PHE284 4.7 0.9 1.0
CA D:PHE284 4.8 0.6 1.0

Potassium binding site 5 out of 6 in 4xdl

Go back to Potassium Binding Sites List in 4xdl
Potassium binding site 5 out of 6 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 Potassium with other atoms in the K 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
C:K602

b:0.1
occ:1.00
 O D:THR281 2.6 0.7 1.0
O C:THR281 2.7 0.6 1.0
O C:ILE173 2.7 0.2 1.0
O C:THR172 2.7 0.9 1.0
O D:ILE173 2.8 0.4 1.0
O C:VAL282 2.8 0.4 1.0
O D:VAL282 2.8 0.5 1.0
O D:THR172 2.9 1.0 1.0
K C:K603 3.4 0.5 1.0
C C:ILE173 3.4 0.3 1.0
K C:K601 3.4 0.8 1.0
C D:ILE173 3.5 0.3 1.0
C C:VAL282 3.5 0.3 1.0
C D:VAL282 3.6 0.1 1.0
C C:THR281 3.8 0.7 1.0
C D:THR281 3.8 0.5 1.0
C C:THR172 3.8 0.1 1.0
CA C:ILE173 3.8 0.1 1.0
C D:THR172 3.9 0.4 1.0
CA D:ILE173 4.0 0.6 1.0
CA C:VAL282 4.0 0.4 1.0
CA D:VAL282 4.1 0.6 1.0
N C:ILE173 4.3 0.6 1.0
N C:VAL282 4.3 0.0 1.0
N D:VAL282 4.4 0.4 1.0
N D:ILE173 4.4 0.6 1.0
N C:GLY174 4.4 0.8 1.0
N D:GLY174 4.4 0.8 1.0
N C:GLY283 4.5 0.0 1.0
N D:GLY283 4.5 0.8 1.0
O C:GLY283 4.8 0.3 1.0
O D:GLY283 4.9 0.5 1.0
CA C:GLY283 4.9 0.8 1.0
CA D:GLY174 4.9 0.1 1.0
CA C:GLY174 4.9 0.3 1.0
CA C:THR281 4.9 0.7 1.0
CA D:THR281 5.0 0.8 1.0
CA D:GLY283 5.0 0.3 1.0

Potassium binding site 6 out of 6 in 4xdl

Go back to Potassium Binding Sites List in 4xdl
Potassium binding site 6 out of 6 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 Potassium with other atoms in the K 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
C:K603

b:0.5
occ:1.00
 O C:THR172 2.4 0.9 1.0
OG1 C:THR172 2.6 0.8 1.0
OG1 D:THR281 2.8 0.1 1.0
O D:THR281 2.8 0.7 1.0
O C:THR281 2.9 0.6 1.0
O D:THR172 2.9 1.0 1.0
OG1 C:THR281 3.1 0.3 1.0
CB C:THR172 3.3 0.3 1.0
OG1 D:THR172 3.4 0.3 1.0
K C:K602 3.4 0.1 1.0
C C:THR172 3.4 0.1 1.0
CB D:THR281 3.4 0.5 1.0
CB C:THR281 3.5 0.2 1.0
C D:THR281 3.6 0.5 1.0
C C:THR281 3.9 0.7 1.0
CA C:THR172 4.0 0.3 1.0
C D:THR172 4.0 0.4 1.0
CB D:THR172 4.0 0.8 1.0
CA D:THR281 4.2 0.8 1.0
CA C:THR281 4.3 0.7 1.0
N C:ILE173 4.5 0.6 1.0
CG2 C:THR172 4.6 0.7 1.0
CA D:THR172 4.7 0.9 1.0
N D:VAL282 4.7 0.4 1.0
CG2 C:THR281 4.7 0.6 1.0
CG2 D:THR281 4.7 0.1 1.0
O C:THR171 4.7 0.0 1.0
O D:THR280 4.8 0.9 1.0
CA C:ILE173 4.9 0.1 1.0
N D:ILE173 5.0 0.6 1.0
N C:VAL282 5.0 0.0 1.0

Reference:

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
Page generated: Mon Aug 12 12:31:56 2024

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