Fluorine in PDB 3p4w: Structure of Desflurane Bound to A Pentameric Ligand-Gated Ion Channel, Glic

The structure of Structure of Desflurane Bound to A Pentameric Ligand-Gated Ion Channel, Glic, PDB code: 3p4w was solved by H.Nury, C.Van Renterghem, Y.Weng, A.Tran, M.Baaden, V.Dufresne, J.P.Changeux, J.M.Sonner, M.Delarue, P.J.Corringer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 3.20
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	181.120, 132.370, 159.690, 90.00, 102.13, 90.00
R / Rfree (%)	18.7 / 20.6

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30;

Binding sites:

The binding sites of Fluorine atom in the Structure of Desflurane Bound to A Pentameric Ligand-Gated Ion Channel, Glic (pdb code 3p4w). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 30 binding sites of Fluorine where determined in the Structure of Desflurane Bound to A Pentameric Ligand-Gated Ion Channel, Glic, PDB code: 3p4w:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 30 in the Structure of Desflurane Bound to A Pentameric Ligand-Gated Ion Channel, Glic


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Desflurane Bound to A Pentameric Ligand-Gated Ion Channel, Glic within 5.0Å range: probe atom residue distance (Å) B Occ A:F319 b:0.9 occ:1.00 FAA A:DSF319 0.0 0.9 1.0 CAH A:DSF319 1.3 0.9 1.0 FAB A:DSF319 2.1 0.2 1.0 OAG A:DSF319 2.2 0.8 1.0 CA A:THR255 2.8 52.0 1.0 CD1 A:ILE258 2.9 63.5 1.0 CAI A:DSF319 3.0 0.8 1.0 OG1 A:THR255 3.3 66.7 1.0 CB A:THR255 3.4 62.3 1.0 N A:THR255 3.5 53.1 1.0 CG1 A:ILE258 3.7 49.7 1.0 CB A:ILE258 3.7 48.0 1.0 O A:THR255 3.8 55.3 1.0 CG2 A:THR255 3.8 59.5 1.0 C A:THR255 3.8 53.8 1.0 FAC A:DSF319 3.8 0.6 1.0 O A:TYR254 3.9 55.0 1.0 CD1 A:TYR254 3.9 58.7 1.0 C A:TYR254 4.0 56.5 1.0 CE1 A:TYR254 4.1 59.9 1.0 CG2 A:ILE258 4.2 48.6 1.0 CAJ A:DSF319 4.3 0.6 1.0 FAF A:DSF319 4.3 0.4 1.0 CG A:TYR254 4.6 56.0 1.0 O A:TYR119 4.8 55.7 1.0 CZ A:TYR254 4.8 66.9 1.0 CD A:PRO120 4.9 49.7 1.0 FAD A:DSF319 5.0 0.1 1.0

Fluorine binding site 2 out of 30 in the Structure of Desflurane Bound to A Pentameric Ligand-Gated Ion Channel, Glic


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Desflurane Bound to A Pentameric Ligand-Gated Ion Channel, Glic within 5.0Å range: probe atom residue distance (Å) B Occ A:F319 b:0.2 occ:1.00 FAB A:DSF319 0.0 0.2 1.0 CAH A:DSF319 1.3 0.9 1.0 FAA A:DSF319 2.1 0.9 1.0 OAG A:DSF319 2.3 0.8 1.0 CAI A:DSF319 2.5 0.8 1.0 FAC A:DSF319 2.5 0.6 1.0 CD1 A:ILE258 3.5 63.5 1.0 CG2 A:ILE258 3.7 48.6 1.0 CB A:ILE258 4.0 48.0 1.0 CAJ A:DSF319 4.0 0.6 1.0 C7B A:PLC320 4.1 92.6 1.0 CG1 A:ILE202 4.2 56.0 1.0 CG1 A:ILE258 4.3 49.7 1.0 FAD A:DSF319 4.6 0.1 1.0 CA A:THR255 4.6 52.0 1.0 CG2 A:ILE202 4.7 56.6 1.0 FAF A:DSF319 4.7 0.4 1.0 FAE A:DSF319 4.7 98.2 1.0 CG2 A:THR255 4.7 59.5 1.0 OG1 A:THR255 4.8 66.7 1.0 CD1 A:ILE202 4.8 57.8 1.0 C6B A:PLC320 4.8 92.3 1.0 O A:THR255 4.9 55.3 1.0 C4B A:PLC320 4.9 93.0 1.0 CB A:ILE202 4.9 56.3 1.0 CB A:THR255 4.9 62.3 1.0

Fluorine binding site 3 out of 30 in the Structure of Desflurane Bound to A Pentameric Ligand-Gated Ion Channel, Glic


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of Desflurane Bound to A Pentameric Ligand-Gated Ion Channel, Glic within 5.0Å range: probe atom residue distance (Å) B Occ A:F319 b:0.6 occ:1.00 FAC A:DSF319 0.0 0.6 1.0 CAI A:DSF319 1.3 0.8 1.0 CAJ A:DSF319 2.3 0.6 1.0 OAG A:DSF319 2.3 0.8 1.0 FAE A:DSF319 2.5 98.2 1.0 FAB A:DSF319 2.5 0.2 1.0 FAD A:DSF319 2.8 0.1 1.0 CAH A:DSF319 2.9 0.9 1.0 CG1 A:ILE202 2.9 56.0 1.0 FAF A:DSF319 3.4 0.4 1.0 CA A:ILE202 3.8 53.2 1.0 FAA A:DSF319 3.8 0.9 1.0 CD1 A:ILE202 3.8 57.8 1.0 CB A:ILE202 3.8 56.3 1.0 N A:ILE202 3.9 53.2 1.0 CG2 A:ILE201 4.1 56.6 1.0 C A:ILE201 4.4 57.4 1.0 CG2 A:ILE202 4.4 56.6 1.0 CB A:ILE201 4.5 56.0 1.0 CG2 A:THR255 4.6 59.5 1.0 CE A:MET205 4.7 56.8 1.0 O A:ILE201 4.8 56.9 1.0 OG1 A:THR255 5.0 66.7 1.0

Fluorine binding site 4 out of 30 in the Structure of Desflurane Bound to A Pentameric Ligand-Gated Ion Channel, Glic


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of Desflurane Bound to A Pentameric Ligand-Gated Ion Channel, Glic within 5.0Å range: probe atom residue distance (Å) B Occ A:F319 b:0.1 occ:1.00 FAD A:DSF319 0.0 0.1 1.0 CAJ A:DSF319 1.3 0.6 1.0 FAF A:DSF319 2.1 0.4 1.0 FAE A:DSF319 2.2 98.2 1.0 CAI A:DSF319 2.3 0.8 1.0 FAC A:DSF319 2.8 0.6 1.0 CG2 A:VAL242 3.2 46.3 1.0 CG2 A:THR255 3.2 59.5 1.0 CG2 A:ILE201 3.4 56.6 1.0 OAG A:DSF319 3.6 0.8 1.0 CG1 A:VAL242 3.9 45.5 1.0 CB A:ILE201 4.1 56.0 1.0 CB A:VAL242 4.2 46.5 1.0 CD1 A:ILE259 4.4 57.9 1.0 OG1 A:THR255 4.4 66.7 1.0 CB A:THR255 4.4 62.3 1.0 FAB A:DSF319 4.6 0.2 1.0 CAH A:DSF319 4.6 0.9 1.0 CD1 A:ILE201 4.6 70.8 1.0 CE A:MET205 4.7 56.8 1.0 CG1 A:ILE201 4.9 56.5 1.0 FAA A:DSF319 5.0 0.9 1.0

Fluorine binding site 5 out of 30 in the Structure of Desflurane Bound to A Pentameric Ligand-Gated Ion Channel, Glic


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structure of Desflurane Bound to A Pentameric Ligand-Gated Ion Channel, Glic within 5.0Å range: probe atom residue distance (Å) B Occ A:F319 b:98.2 occ:1.00 FAE A:DSF319 0.0 98.2 1.0 CAJ A:DSF319 1.3 0.6 1.0 FAF A:DSF319 2.1 0.4 1.0 FAD A:DSF319 2.2 0.1 1.0 CAI A:DSF319 2.4 0.8 1.0 FAC A:DSF319 2.5 0.6 1.0 OAG A:DSF319 3.1 0.8 1.0 CD1 A:TYR197 3.6 60.3 1.0 CB A:TYR197 3.7 55.7 1.0 CG A:PRO120 3.8 53.3 1.0 CG1 A:ILE202 3.8 56.0 1.0 CB A:ILE201 3.9 56.0 1.0 CG2 A:ILE201 3.9 56.6 1.0 CG A:TYR197 4.0 57.2 1.0 CD1 A:ILE202 4.3 57.8 1.0 CD A:PRO120 4.3 49.7 1.0 O A:TYR197 4.3 61.9 1.0 CD1 A:ILE201 4.4 70.8 1.0 CAH A:DSF319 4.4 0.9 1.0 CA A:TYR197 4.5 55.3 1.0 N A:ILE202 4.6 53.2 1.0 CE1 A:TYR197 4.6 63.2 1.0 FAB A:DSF319 4.7 0.2 1.0 CG2 A:THR255 4.7 59.5 1.0 OG1 A:THR255 4.7 66.7 1.0 CG1 A:ILE201 4.7 56.5 1.0 C A:TYR197 4.7 59.8 1.0 CB A:PRO120 4.7 48.9 1.0 CG2 A:VAL242 5.0 46.3 1.0 CA A:ILE201 5.0 53.5 1.0 C A:ILE201 5.0 57.4 1.0

Fluorine binding site 6 out of 30 in the Structure of Desflurane Bound to A Pentameric Ligand-Gated Ion Channel, Glic


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Structure of Desflurane Bound to A Pentameric Ligand-Gated Ion Channel, Glic within 5.0Å range: probe atom residue distance (Å) B Occ A:F319 b:0.4 occ:1.00 FAF A:DSF319 0.0 0.4 1.0 CAJ A:DSF319 1.3 0.6 1.0 FAD A:DSF319 2.1 0.1 1.0 FAE A:DSF319 2.1 98.2 1.0 CAI A:DSF319 2.4 0.8 1.0 OG1 A:THR255 2.8 66.7 1.0 OAG A:DSF319 2.8 0.8 1.0 CG2 A:THR255 3.0 59.5 1.0 FAC A:DSF319 3.4 0.6 1.0 CB A:THR255 3.4 62.3 1.0 CD A:PRO120 3.4 49.7 1.0 CG A:PRO120 3.5 53.3 1.0 CE1 A:TYR119 3.7 55.5 1.0 CD1 A:TYR119 3.9 56.4 1.0 CAH A:DSF319 4.1 0.9 1.0 N A:PRO120 4.2 49.2 1.0 CB A:PRO120 4.3 48.9 1.0 FAA A:DSF319 4.3 0.9 1.0 CD1 A:TYR197 4.4 60.3 1.0 O A:TYR119 4.6 55.7 1.0 CA A:THR255 4.6 52.0 1.0 CG1 A:VAL242 4.6 45.5 1.0 FAB A:DSF319 4.7 0.2 1.0 C A:TYR119 4.7 54.9 1.0 CZ A:TYR119 4.8 59.9 1.0 CG2 A:VAL242 4.8 46.3 1.0 CE1 A:TYR197 5.0 63.2 1.0 CA A:PRO120 5.0 47.7 1.0

Fluorine binding site 7 out of 30 in the Structure of Desflurane Bound to A Pentameric Ligand-Gated Ion Channel, Glic


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Structure of Desflurane Bound to A Pentameric Ligand-Gated Ion Channel, Glic within 5.0Å range: probe atom residue distance (Å) B Occ B:F319 b:0.6 occ:1.00 FAA B:DSF319 0.0 0.6 1.0 CAH B:DSF319 1.4 0.3 1.0 OAG B:DSF319 2.3 0.9 1.0 FAB B:DSF319 2.3 0.4 1.0 CD1 B:ILE258 3.4 72.8 1.0 CAI B:DSF319 3.5 0.8 1.0 C4B B:PLC320 3.8 93.1 1.0 FAC B:DSF319 3.9 0.4 1.0 CD1 B:ILE202 3.9 45.2 1.0 CG1 B:ILE202 3.9 48.2 1.0 CE1 B:TYR254 4.0 66.8 1.0 FAF B:DSF319 4.0 0.0 1.0 OG1 B:THR255 4.3 64.6 1.0 CE2 B:PHE121 4.3 54.0 1.0 C7B B:PLC320 4.3 92.7 1.0 CAJ B:DSF319 4.4 0.3 1.0 CD1 B:TYR254 4.4 65.4 1.0 CG2 B:ILE202 4.6 50.9 1.0 C6B B:PLC320 4.6 92.4 1.0 CD B:PRO120 4.7 52.5 1.0 CG1 B:ILE258 4.7 53.6 1.0 CZ B:TYR254 4.8 71.2 1.0 C3B B:PLC320 4.8 94.4 1.0 C5B B:PLC320 4.8 92.8 1.0 CA B:THR255 4.9 50.8 1.0 CB B:ILE202 4.9 49.7 1.0 CG2 B:ILE258 4.9 53.8 1.0 CZ B:PHE121 4.9 51.7 1.0 CB B:ILE258 4.9 52.5 1.0 OH B:TYR254 5.0 69.7 1.0

Fluorine binding site 8 out of 30 in the Structure of Desflurane Bound to A Pentameric Ligand-Gated Ion Channel, Glic


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Structure of Desflurane Bound to A Pentameric Ligand-Gated Ion Channel, Glic within 5.0Å range: probe atom residue distance (Å) B Occ B:F319 b:0.4 occ:1.00 FAB B:DSF319 0.0 0.4 1.0 CAH B:DSF319 1.4 0.3 1.0 OAG B:DSF319 2.2 0.9 1.0 FAA B:DSF319 2.3 0.6 1.0 FAC B:DSF319 2.6 0.4 1.0 CAI B:DSF319 2.8 0.8 1.0 CD1 B:ILE258 3.1 72.8 1.0 CG2 B:ILE258 3.3 53.8 1.0 CB B:ILE258 3.3 52.5 1.0 CG1 B:ILE258 3.8 53.6 1.0 CA B:THR255 4.0 50.8 1.0 O B:THR255 4.1 48.8 1.0 OG1 B:THR255 4.3 64.6 1.0 CAJ B:DSF319 4.3 0.3 1.0 C B:THR255 4.5 51.0 1.0 CB B:THR255 4.5 59.6 1.0 C7B B:PLC320 4.6 92.7 1.0 FAF B:DSF319 4.6 0.0 1.0 CG2 B:THR255 4.7 55.8 1.0 CA B:ILE258 4.7 49.3 1.0 CG1 B:ILE259 4.8 50.0 1.0 N B:ILE259 4.8 48.3 1.0 N B:THR255 4.9 52.5 1.0 FAE B:DSF319 5.0 0.5 1.0

Fluorine binding site 9 out of 30 in the Structure of Desflurane Bound to A Pentameric Ligand-Gated Ion Channel, Glic


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Structure of Desflurane Bound to A Pentameric Ligand-Gated Ion Channel, Glic within 5.0Å range: probe atom residue distance (Å) B Occ B:F319 b:0.4 occ:1.00 FAC B:DSF319 0.0 0.4 1.0 CAI B:DSF319 1.4 0.8 1.0 OAG B:DSF319 2.4 0.9 1.0 CAJ B:DSF319 2.5 0.3 1.0 CAH B:DSF319 2.5 0.3 1.0 FAB B:DSF319 2.6 0.4 1.0 FAE B:DSF319 2.7 0.5 1.0 FAF B:DSF319 3.4 0.0 1.0 FAD B:DSF319 3.4 0.3 1.0 CD1 B:ILE259 3.8 51.9 1.0 CE B:MET205 3.8 66.0 1.0 FAA B:DSF319 3.9 0.6 1.0 CG2 B:THR255 4.0 55.8 1.0 SD B:MET205 4.1 69.6 1.0 CG1 B:ILE259 4.1 50.0 1.0 CG2 B:ILE201 4.2 56.7 1.0 OG1 B:THR255 4.4 64.6 1.0 CG1 B:ILE202 4.5 48.2 1.0 CB B:THR255 4.6 59.6 1.0 O B:THR255 4.7 48.8 1.0 CA B:THR255 4.8 50.8 1.0 CG2 B:VAL242 4.8 46.0 1.0

Fluorine binding site 10 out of 30 in the Structure of Desflurane Bound to A Pentameric Ligand-Gated Ion Channel, Glic


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Structure of Desflurane Bound to A Pentameric Ligand-Gated Ion Channel, Glic within 5.0Å range: probe atom residue distance (Å) B Occ B:F319 b:0.3 occ:1.00 FAD B:DSF319 0.0 0.3 1.0 CAJ B:DSF319 1.3 0.3 1.0 FAE B:DSF319 2.1 0.5 1.0 FAF B:DSF319 2.1 0.0 1.0 CAI B:DSF319 2.3 0.8 1.0 CG2 B:THR255 3.1 55.8 1.0 OAG B:DSF319 3.2 0.9 1.0 OG1 B:THR255 3.3 64.6 1.0 FAC B:DSF319 3.4 0.4 1.0 CE1 B:TYR119 3.7 51.0 1.0 CB B:THR255 3.8 59.6 1.0 CG2 B:VAL242 3.9 46.0 1.0 CG1 B:VAL242 3.9 46.1 1.0 CD1 B:TYR119 4.1 51.8 1.0 CG B:PRO120 4.3 56.5 1.0 CD1 B:TYR197 4.3 60.0 1.0 CD B:PRO120 4.3 52.5 1.0 CAH B:DSF319 4.5 0.3 1.0 CB B:VAL242 4.6 46.6 1.0 CG2 B:ILE201 4.7 56.7 1.0 CZ B:TYR119 4.7 59.0 1.0 CE1 B:TYR197 4.8 63.0 1.0 CB B:PRO120 4.9 52.1 1.0 CA B:THR255 4.9 50.8 1.0 CD1 B:ILE201 5.0 67.9 1.0 OH B:TYR119 5.0 61.4 1.0

H.Nury, C.Van Renterghem, Y.Weng, A.Tran, M.Baaden, V.Dufresne, J.P.Changeux, J.M.Sonner, M.Delarue, P.J.Corringer. X-Ray Structures of General Anaesthetics Bound to A Pentameric Ligand-Gated Ion Channel Nature V. 469 428 2011.
ISSN: ISSN 0028-0836
PubMed: 21248852
DOI: 10.1038/NATURE09647