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Fluorine in PDB 6rv4: Crystal Structure of the Human Two Pore Domain Potassium Ion Channel Task-1 (K2P3.1) in A Closed Conformation with A Bound Inhibitor Bay 2341237

Protein crystallography data

The structure of Crystal Structure of the Human Two Pore Domain Potassium Ion Channel Task-1 (K2P3.1) in A Closed Conformation with A Bound Inhibitor Bay 2341237, PDB code: 6rv4 was solved by K.E.J.Rodstrom, A.C.W.Pike, W.Zhang, A.Quigley, D.Speedman, S.M.M.Mukhopadhyay, L.Shrestha, R.Chalk, S.Venkaya, S.R.Bushell, A.Tessitore, N.Burgess-Brown, C.H.Arrowsmith, A.M.Edwards, C.Bountra, 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) 41.16 / 3.10
Space group P 2 21 21
Cell size a, b, c (Å), α, β, γ (°) 45.100, 201.330, 238.570, 90.00, 90.00, 90.00
R / Rfree (%) 25 / 25.6

Other elements in 6rv4:

The structure of Crystal Structure of the Human Two Pore Domain Potassium Ion Channel Task-1 (K2P3.1) in A Closed Conformation with A Bound Inhibitor Bay 2341237 also contains other interesting chemical elements:

Potassium (K) 8 atoms
Chlorine (Cl) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of the Human Two Pore Domain Potassium Ion Channel Task-1 (K2P3.1) in A Closed Conformation with A Bound Inhibitor Bay 2341237 (pdb code 6rv4). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Crystal Structure of the Human Two Pore Domain Potassium Ion Channel Task-1 (K2P3.1) in A Closed Conformation with A Bound Inhibitor Bay 2341237, PDB code: 6rv4:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 6rv4

Go back to Fluorine Binding Sites List in 6rv4
Fluorine binding site 1 out of 6 in the Crystal Structure of the Human Two Pore Domain Potassium Ion Channel Task-1 (K2P3.1) in A Closed Conformation with A Bound Inhibitor Bay 2341237


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 the Human Two Pore Domain Potassium Ion Channel Task-1 (K2P3.1) in A Closed Conformation with A Bound Inhibitor Bay 2341237 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F307

b:39.7
occ:1.00
F1 A:KKZ307 0.0 39.7 1.0
C25 A:KKZ307 1.3 40.5 1.0
F3 A:KKZ307 2.1 42.2 1.0
F2 A:KKZ307 2.2 38.5 1.0
O2 A:KKZ307 2.3 41.1 1.0
C24 A:KKZ307 2.7 42.2 1.0
N5 A:KKZ307 2.9 43.0 1.0
CD1 B:LEU239 3.3 40.0 1.0
CD2 B:LEU239 3.6 41.4 1.0
C23 A:KKZ307 3.7 42.8 1.0
CG2 A:ILE118 3.9 30.7 1.0
C4 A:KKZ307 4.0 44.4 1.0
C20 A:KKZ307 4.0 43.7 1.0
CG B:LEU239 4.1 39.7 1.0
CD1 A:LEU122 4.2 33.9 1.0
C3 A:KKZ307 4.2 44.4 1.0
C22 A:KKZ307 4.6 43.4 1.0
O B:THR198 4.8 14.4 1.0
C21 A:KKZ307 4.8 43.7 1.0
N2 A:KKZ307 4.9 44.4 1.0
C19 A:KKZ307 4.9 43.7 1.0

Fluorine binding site 2 out of 6 in 6rv4

Go back to Fluorine Binding Sites List in 6rv4
Fluorine binding site 2 out of 6 in the Crystal Structure of the Human Two Pore Domain Potassium Ion Channel Task-1 (K2P3.1) in A Closed Conformation with A Bound Inhibitor Bay 2341237


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 the Human Two Pore Domain Potassium Ion Channel Task-1 (K2P3.1) in A Closed Conformation with A Bound Inhibitor Bay 2341237 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F307

b:38.5
occ:1.00
F2 A:KKZ307 0.0 38.5 1.0
C25 A:KKZ307 1.3 40.5 1.0
F3 A:KKZ307 2.2 42.2 1.0
F1 A:KKZ307 2.2 39.7 1.0
O2 A:KKZ307 2.2 41.1 1.0
CD1 B:LEU239 3.4 40.0 1.0
C24 A:KKZ307 3.4 42.2 1.0
CG2 B:ILE235 3.9 32.3 1.0
CG2 A:ILE118 4.1 30.7 1.0
C23 A:KKZ307 4.2 42.8 1.0
N5 A:KKZ307 4.3 43.0 1.0
CG2 B:THR198 4.4 14.6 1.0
CA B:THR198 4.4 12.1 1.0
CG B:LEU239 4.4 39.7 1.0
CD2 B:LEU239 4.6 41.4 1.0
CB B:THR198 4.6 17.0 1.0
O B:THR198 4.8 14.4 1.0
CB A:ILE118 4.8 30.2 1.0
O B:LEU197 4.9 16.7 1.0
CD1 A:ILE118 4.9 36.2 1.0
C B:THR198 5.0 15.1 1.0

Fluorine binding site 3 out of 6 in 6rv4

Go back to Fluorine Binding Sites List in 6rv4
Fluorine binding site 3 out of 6 in the Crystal Structure of the Human Two Pore Domain Potassium Ion Channel Task-1 (K2P3.1) in A Closed Conformation with A Bound Inhibitor Bay 2341237


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 the Human Two Pore Domain Potassium Ion Channel Task-1 (K2P3.1) in A Closed Conformation with A Bound Inhibitor Bay 2341237 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F307

b:42.2
occ:1.00
F3 A:KKZ307 0.0 42.2 1.0
C25 A:KKZ307 1.3 40.5 1.0
F1 A:KKZ307 2.1 39.7 1.0
F2 A:KKZ307 2.2 38.5 1.0
O2 A:KKZ307 2.2 41.1 1.0
O B:THR198 2.8 14.4 1.0
C24 A:KKZ307 3.2 42.2 1.0
CG2 A:ILE118 3.4 30.7 1.0
C B:THR198 3.4 15.1 1.0
N5 A:KKZ307 3.5 43.0 1.0
CA B:THR198 3.5 12.1 1.0
CB B:THR198 3.8 17.0 1.0
CD1 A:ILE118 3.9 36.2 1.0
CG2 A:THR93 4.1 26.1 1.0
CB A:ILE118 4.3 30.2 1.0
OG1 B:THR199 4.3 16.6 1.0
CG2 B:THR198 4.3 14.6 1.0
C23 A:KKZ307 4.5 42.8 1.0
N B:THR199 4.6 11.4 1.0
CG1 A:ILE118 4.6 30.4 1.0
O B:LEU197 4.7 16.7 1.0
C3 A:KKZ307 4.8 44.4 1.0
N B:THR198 4.8 13.0 1.0
C20 A:KKZ307 4.8 43.7 1.0
CD1 B:LEU239 5.0 40.0 1.0

Fluorine binding site 4 out of 6 in 6rv4

Go back to Fluorine Binding Sites List in 6rv4
Fluorine binding site 4 out of 6 in the Crystal Structure of the Human Two Pore Domain Potassium Ion Channel Task-1 (K2P3.1) in A Closed Conformation with A Bound Inhibitor Bay 2341237


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 the Human Two Pore Domain Potassium Ion Channel Task-1 (K2P3.1) in A Closed Conformation with A Bound Inhibitor Bay 2341237 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F302

b:80.6
occ:1.00
F1 D:KKZ302 0.0 80.6 1.0
C25 D:KKZ302 1.3 81.0 1.0
F3 D:KKZ302 2.1 81.8 1.0
F2 D:KKZ302 2.2 80.4 1.0
O2 D:KKZ302 2.3 81.0 1.0
C24 D:KKZ302 2.7 81.4 1.0
N5 D:KKZ302 2.9 81.5 1.0
CD1 D:LEU239 3.3 56.2 1.0
CD2 D:LEU239 3.6 58.8 1.0
C23 D:KKZ302 3.7 81.4 1.0
CG2 C:ILE118 3.9 36.6 1.0
C4 D:KKZ302 4.0 76.1 1.0
C20 D:KKZ302 4.0 80.8 1.0
CG D:LEU239 4.1 55.8 1.0
CD1 C:LEU122 4.2 31.4 1.0
C3 D:KKZ302 4.2 75.4 1.0
C22 D:KKZ302 4.6 80.9 1.0
O D:THR198 4.7 34.0 1.0
C21 D:KKZ302 4.8 80.6 1.0
N2 D:KKZ302 4.9 78.0 1.0
C19 D:KKZ302 4.9 80.1 1.0

Fluorine binding site 5 out of 6 in 6rv4

Go back to Fluorine Binding Sites List in 6rv4
Fluorine binding site 5 out of 6 in the Crystal Structure of the Human Two Pore Domain Potassium Ion Channel Task-1 (K2P3.1) in A Closed Conformation with A Bound Inhibitor Bay 2341237


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 the Human Two Pore Domain Potassium Ion Channel Task-1 (K2P3.1) in A Closed Conformation with A Bound Inhibitor Bay 2341237 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F302

b:80.4
occ:1.00
F2 D:KKZ302 0.0 80.4 1.0
C25 D:KKZ302 1.3 81.0 1.0
F3 D:KKZ302 2.1 81.8 1.0
F1 D:KKZ302 2.2 80.6 1.0
O2 D:KKZ302 2.2 81.0 1.0
CD1 D:LEU239 3.4 56.2 1.0
C24 D:KKZ302 3.4 81.4 1.0
CG2 D:ILE235 3.8 37.6 1.0
CG2 C:ILE118 4.1 36.6 1.0
CG2 D:THR198 4.1 37.2 1.0
C23 D:KKZ302 4.2 81.4 1.0
N5 D:KKZ302 4.3 81.5 1.0
CA D:THR198 4.4 30.3 1.0
CG D:LEU239 4.4 55.8 1.0
CB D:THR198 4.5 37.9 1.0
CD2 D:LEU239 4.6 58.8 1.0
O D:THR198 4.8 34.0 1.0
CB C:ILE118 4.8 35.8 1.0
O D:LEU197 4.9 34.7 1.0
CD1 C:ILE118 4.9 41.5 1.0
C D:THR198 5.0 33.8 1.0

Fluorine binding site 6 out of 6 in 6rv4

Go back to Fluorine Binding Sites List in 6rv4
Fluorine binding site 6 out of 6 in the Crystal Structure of the Human Two Pore Domain Potassium Ion Channel Task-1 (K2P3.1) in A Closed Conformation with A Bound Inhibitor Bay 2341237


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 the Human Two Pore Domain Potassium Ion Channel Task-1 (K2P3.1) in A Closed Conformation with A Bound Inhibitor Bay 2341237 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F302

b:81.8
occ:1.00
F3 D:KKZ302 0.0 81.8 1.0
C25 D:KKZ302 1.3 81.0 1.0
F1 D:KKZ302 2.1 80.6 1.0
F2 D:KKZ302 2.1 80.4 1.0
O2 D:KKZ302 2.2 81.0 1.0
O D:THR198 2.8 34.0 1.0
C24 D:KKZ302 3.2 81.4 1.0
CG2 C:ILE118 3.4 36.6 1.0
C D:THR198 3.4 33.8 1.0
CA D:THR198 3.4 30.3 1.0
N5 D:KKZ302 3.5 81.5 1.0
CB D:THR198 3.7 37.9 1.0
CD1 C:ILE118 3.9 41.5 1.0
CG2 C:THR93 4.1 20.6 1.0
CG2 D:THR198 4.2 37.2 1.0
CB C:ILE118 4.3 35.8 1.0
OG1 D:THR199 4.4 34.0 1.0
C23 D:KKZ302 4.5 81.4 1.0
CG1 C:ILE118 4.6 36.0 1.0
N D:THR199 4.6 29.1 1.0
O D:LEU197 4.7 34.7 1.0
N D:THR198 4.7 30.8 1.0
C20 D:KKZ302 4.8 80.8 1.0
C3 D:KKZ302 4.8 75.4 1.0
CD1 D:LEU239 5.0 56.2 1.0
OG1 D:THR198 5.0 38.3 1.0

Reference:

K.E.J.Rodstrom, A.K.Kiper, W.Zhang, S.Rinne, A.C.W.Pike, M.Goldstein, L.Conrad, M.Delbeck, M.Hahn, H.Meier, M.Platzk, A.Quigley, D.Speedman, L.Shrestha, S.M.M.Mukhopadhyay, N.A.Burgess-Brown, S.J.Tucker, T.Mueller, N.Decher, E.P.Carpenter. A Unique Lower X-Gate in Task Channels Sequesters Inhibitors Within the Vestibule To Be Published.
Page generated: Fri Aug 2 01:25:28 2024

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