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Potassium in PDB 6cq9: K2P2.1(Trek-1):ML402 Complex

Protein crystallography data

The structure of K2P2.1(Trek-1):ML402 Complex, PDB code: 6cq9 was solved by M.Lolicato, D.L.Minor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 2.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 67.091, 119.565, 127.215, 90.00, 90.00, 90.00
R / Rfree (%) 26.5 / 30.9

Other elements in 6cq9:

The structure of K2P2.1(Trek-1):ML402 Complex also contains other interesting chemical elements:

Cadmium (Cd) 1 atom
Chlorine (Cl) 2 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the K2P2.1(Trek-1):ML402 Complex (pdb code 6cq9). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 5 binding sites of Potassium where determined in the K2P2.1(Trek-1):ML402 Complex, PDB code: 6cq9:
Jump to Potassium binding site number: 1; 2; 3; 4; 5;

Potassium binding site 1 out of 5 in 6cq9

Go back to Potassium Binding Sites List in 6cq9
Potassium binding site 1 out of 5 in the K2P2.1(Trek-1):ML402 Complex


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of K2P2.1(Trek-1):ML402 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K401

b:0.5
occ:1.00
 OG1 A:THR142 4.3 0.7 1.0
OG1 A:THR251 4.5 0.1 1.0
K B:K402 4.7 0.9 1.0
OG1 B:THR251 4.8 89.4 1.0

Potassium binding site 2 out of 5 in 6cq9

Go back to Potassium Binding Sites List in 6cq9
Potassium binding site 2 out of 5 in the K2P2.1(Trek-1):ML402 Complex


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of K2P2.1(Trek-1):ML402 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K402

b:0.7
occ:1.00
 O A:GLY144 2.6 99.3 1.0
O B:GLY253 2.6 0.0 1.0
O A:ILE143 2.7 0.6 1.0
O B:GLY144 2.7 0.8 1.0
O A:GLY253 2.7 85.2 1.0
O A:ILE252 2.7 76.0 1.0
O B:ILE252 2.8 0.0 1.0
O B:ILE143 2.9 94.3 1.0
K B:K401 2.9 96.1 1.0
K A:K403 3.2 0.6 1.0
C B:GLY253 3.4 0.5 1.0
C A:GLY253 3.5 84.3 1.0
C A:GLY144 3.5 0.3 1.0
C B:GLY144 3.5 1.0 1.0
CA A:GLY253 3.8 81.9 1.0
C A:ILE252 3.8 93.1 1.0
CA B:GLY253 3.8 97.1 1.0
C A:ILE143 3.8 93.7 1.0
C B:ILE252 3.9 80.1 1.0
C B:ILE143 4.0 91.2 1.0
CA B:GLY144 4.0 84.2 1.0
CA A:GLY144 4.1 76.5 1.0
N A:GLY253 4.3 74.9 1.0
N A:PHE145 4.3 0.5 1.0
N B:GLY253 4.4 0.8 1.0
N A:GLY144 4.4 89.6 1.0
N B:GLY144 4.5 83.8 1.0
N B:PHE254 4.5 0.1 1.0
N A:PHE254 4.5 90.2 1.0
N B:PHE145 4.6 96.4 1.0
CA A:PHE145 4.6 0.7 1.0
O A:THR251 4.8 74.6 1.0
CA B:PHE145 4.9 96.9 1.0
C A:PHE145 4.9 0.6 1.0
CA B:PHE254 5.0 0.9 1.0

Potassium binding site 3 out of 5 in 6cq9

Go back to Potassium Binding Sites List in 6cq9
Potassium binding site 3 out of 5 in the K2P2.1(Trek-1):ML402 Complex


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of K2P2.1(Trek-1):ML402 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K403

b:0.6
occ:1.00
 O A:PHE145 2.7 0.1 1.0
O A:GLY253 2.7 85.2 1.0
O B:PHE254 2.8 0.1 1.0
O B:GLY253 2.8 0.0 1.0
O B:GLY144 2.9 0.8 1.0
O A:GLY144 3.0 99.3 1.0
O A:PHE254 3.1 95.7 1.0
O B:PHE145 3.2 0.7 1.0
K A:K402 3.2 0.7 1.0
C A:PHE145 3.3 0.6 1.0
C B:PHE145 3.5 94.7 1.0
C B:PHE254 3.6 0.8 1.0
C A:PHE254 3.6 86.3 1.0
CA A:PHE145 3.8 0.7 1.0
C A:GLY253 3.9 84.3 1.0
C B:GLY253 4.0 0.5 1.0
C B:GLY144 4.0 1.0 1.0
N B:GLY146 4.0 96.9 1.0
C A:GLY144 4.1 0.3 1.0
N A:GLY146 4.1 0.7 1.0
CA B:PHE254 4.1 0.9 1.0
CA B:PHE145 4.1 96.9 1.0
CA A:PHE254 4.1 75.8 1.0
CA B:GLY146 4.3 89.3 1.0
CA A:GLY146 4.4 0.4 1.0
N A:GLY255 4.4 0.8 1.0
N A:PHE145 4.4 0.5 1.0
N A:PHE254 4.5 90.2 1.0
N B:PHE254 4.5 0.1 1.0
N B:GLY255 4.6 0.4 1.0
N B:PHE145 4.6 96.4 1.0
CA A:GLY255 4.9 0.8 1.0
CA B:GLY255 5.0 94.7 1.0

Potassium binding site 4 out of 5 in 6cq9

Go back to Potassium Binding Sites List in 6cq9
Potassium binding site 4 out of 5 in the K2P2.1(Trek-1):ML402 Complex


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of K2P2.1(Trek-1):ML402 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K401

b:96.1
occ:1.00
 O A:THR251 2.6 74.6 1.0
O B:ILE252 2.6 0.0 1.0
O A:ILE252 2.7 76.0 1.0
O A:THR142 2.8 0.9 1.0
O B:THR251 2.8 93.7 1.0
O A:ILE143 2.8 0.6 1.0
O B:THR142 2.9 81.5 1.0
O B:ILE143 2.9 94.3 1.0
K A:K402 2.9 0.7 1.0
C B:ILE252 3.4 80.1 1.0
C A:ILE252 3.5 93.1 1.0
C A:ILE143 3.5 93.7 1.0
C B:ILE143 3.6 91.2 1.0
K B:K402 3.7 0.9 1.0
C A:THR251 3.8 87.6 1.0
C B:THR251 3.8 87.8 1.0
C A:THR142 3.9 95.1 1.0
C B:THR142 3.9 57.3 1.0
CA A:ILE143 4.0 95.6 1.0
CA B:ILE143 4.0 85.8 1.0
CA B:ILE252 4.0 0.7 1.0
CA A:ILE252 4.1 71.0 1.0
N B:GLY253 4.3 0.8 1.0
N B:ILE252 4.4 0.4 1.0
N A:ILE252 4.4 58.9 1.0
N A:ILE143 4.4 86.4 1.0
N B:ILE143 4.4 77.5 1.0
N A:GLY253 4.5 74.9 1.0
N B:GLY144 4.5 83.8 1.0
N A:GLY144 4.5 89.6 1.0
CA B:GLY253 4.5 97.1 1.0
CA A:GLY253 4.7 81.9 1.0
O A:GLY144 4.8 99.3 1.0
CA B:GLY144 4.8 84.2 1.0
O B:GLY253 4.8 0.0 1.0
CA A:THR251 4.9 81.3 1.0
O B:GLY144 4.9 0.8 1.0
CA A:GLY144 4.9 76.5 1.0
CA B:THR251 5.0 85.3 1.0

Potassium binding site 5 out of 5 in 6cq9

Go back to Potassium Binding Sites List in 6cq9
Potassium binding site 5 out of 5 in the K2P2.1(Trek-1):ML402 Complex


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of K2P2.1(Trek-1):ML402 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K402

b:0.9
occ:1.00
 O B:THR142 2.8 81.5 1.0
O B:THR251 2.8 93.7 1.0
OG1 A:THR251 2.9 0.1 1.0
O A:THR142 2.9 0.9 1.0
O A:THR251 3.0 74.6 1.0
OG1 B:THR142 3.1 87.6 1.0
OG1 B:THR251 3.2 89.4 1.0
CB A:THR251 3.2 79.1 1.0
CB B:THR251 3.3 73.3 1.0
OG1 A:THR142 3.3 0.7 1.0
CB B:THR142 3.5 62.9 1.0
CB A:THR142 3.6 0.3 1.0
K B:K401 3.7 96.1 1.0
C B:THR142 3.8 57.3 1.0
C A:THR251 3.8 87.6 1.0
C B:THR251 3.8 87.8 1.0
C A:THR142 3.9 95.1 1.0
CA A:THR251 4.1 81.3 1.0
CA B:THR251 4.2 85.3 1.0
CA B:THR142 4.3 63.4 1.0
CG2 A:THR251 4.4 84.6 1.0
CA A:THR142 4.4 85.1 1.0
CG2 B:THR251 4.5 72.7 1.0
CG2 B:THR142 4.7 59.9 1.0
K A:K401 4.7 0.5 1.0
O A:THR250 4.7 90.8 1.0
N A:ILE252 4.8 58.9 1.0
O B:THR141 4.8 91.6 1.0
CG2 A:THR142 4.8 0.0 1.0
N B:ILE143 4.8 77.5 1.0
N B:ILE252 4.9 0.4 1.0
N A:ILE143 4.9 86.4 1.0
O B:THR250 5.0 87.8 1.0

Reference:

M.Lolicato, C.Arrigoni, T.Mori, Y.Sekioka, C.Bryant, K.A.Clark, D.L.Minor. K2P2.1 (Trek-1)-Activator Complexes Reveal A Cryptic Selectivity Filter Binding Site. Nature V. 547 364 2017.
ISSN: ESSN 1476-4687
PubMed: 28693035
DOI: 10.1038/NATURE22988
Page generated: Mon Aug 12 15:37:21 2024

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