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Chlorine in PDB 3sq6: Crystal Structures of the Ligand Binding Domain of A Pentameric ALPHA7 Nicotinic Receptor Chimera with Its Agonist Epibatidine

Protein crystallography data

The structure of Crystal Structures of the Ligand Binding Domain of A Pentameric ALPHA7 Nicotinic Receptor Chimera with Its Agonist Epibatidine, PDB code: 3sq6 was solved by S.-X.Li, S.Huang, N.Bren, K.Noridomi, C.Dellisanti, S.Sine, L.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.47 / 2.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 81.237, 141.069, 130.207, 90.00, 99.65, 90.00
R / Rfree (%) 23.4 / 26

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structures of the Ligand Binding Domain of A Pentameric ALPHA7 Nicotinic Receptor Chimera with Its Agonist Epibatidine (pdb code 3sq6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the Crystal Structures of the Ligand Binding Domain of A Pentameric ALPHA7 Nicotinic Receptor Chimera with Its Agonist Epibatidine, PDB code: 3sq6:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 3sq6

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Chlorine binding site 1 out of 10 in the Crystal Structures of the Ligand Binding Domain of A Pentameric ALPHA7 Nicotinic Receptor Chimera with Its Agonist Epibatidine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structures of the Ligand Binding Domain of A Pentameric ALPHA7 Nicotinic Receptor Chimera with Its Agonist Epibatidine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl300

b:21.2
occ:1.00
CL A:EPJ300 0.0 21.2 1.0
C10 A:EPJ300 1.7 31.9 1.0
N2 A:EPJ300 2.7 39.4 1.0
C9 A:EPJ300 2.7 34.0 1.0
O B:GLN114 3.0 52.7 1.0
N B:LEU106 3.3 47.2 1.0
C B:GLN114 3.6 51.0 1.0
CG B:LEU106 3.7 36.7 1.0
CB B:LEU106 3.7 38.5 1.0
O B:LEU104 3.8 33.9 1.0
CA B:ALA105 3.8 37.6 1.0
C B:ALA105 3.8 43.9 1.0
CA B:TYR115 3.9 45.6 1.0
C11 A:EPJ300 4.0 41.9 1.0
CG2 A:THR146 4.0 39.2 1.0
C8 A:EPJ300 4.0 36.8 1.0
N B:TYR115 4.0 48.4 1.0
CA B:LEU106 4.1 44.6 1.0
N B:LEU116 4.2 44.3 1.0
CG B:GLN114 4.3 53.1 1.0
CD1 B:LEU106 4.3 31.3 1.0
CB B:GLN114 4.3 47.8 1.0
CD2 B:LEU116 4.5 49.2 1.0
C B:LEU104 4.5 35.4 1.0
C7 A:EPJ300 4.5 39.7 1.0
N B:ALA105 4.6 35.5 1.0
CA B:GLN114 4.6 51.7 1.0
C B:TYR115 4.6 44.6 1.0
O B:ALA105 4.7 49.3 1.0
OE1 B:GLN114 4.9 53.6 1.0
CB B:ALA105 4.9 27.6 1.0
CD2 B:LEU106 5.0 30.9 1.0

Chlorine binding site 2 out of 10 in 3sq6

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Chlorine binding site 2 out of 10 in the Crystal Structures of the Ligand Binding Domain of A Pentameric ALPHA7 Nicotinic Receptor Chimera with Its Agonist Epibatidine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structures of the Ligand Binding Domain of A Pentameric ALPHA7 Nicotinic Receptor Chimera with Its Agonist Epibatidine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl300

b:23.5
occ:1.00
CL B:EPJ300 0.0 23.5 1.0
C10 B:EPJ300 1.7 41.1 1.0
N2 B:EPJ300 2.7 47.0 1.0
C9 B:EPJ300 2.7 41.4 1.0
O C:GLN114 2.8 50.7 1.0
O C:LEU104 3.4 41.5 1.0
N C:LEU106 3.5 54.1 1.0
C C:GLN114 3.7 48.5 1.0
CA C:ALA105 3.8 46.5 1.0
N C:LEU116 3.8 42.0 1.0
CG2 B:THR146 3.9 35.5 1.0
CA C:TYR115 4.0 43.1 1.0
C11 B:EPJ300 4.0 38.2 1.0
C8 B:EPJ300 4.0 43.9 1.0
C C:ALA105 4.0 50.0 1.0
CB C:LEU106 4.1 51.1 1.0
N C:TYR115 4.2 43.5 1.0
C C:LEU104 4.3 40.3 1.0
CG C:LEU106 4.3 51.0 1.0
C C:TYR115 4.4 41.0 1.0
CA C:LEU106 4.4 53.9 1.0
CB C:LEU116 4.5 49.6 1.0
N C:ALA105 4.5 44.4 1.0
C7 B:EPJ300 4.5 38.5 1.0
CD1 C:LEU106 4.7 44.7 1.0
CA C:LEU116 4.8 44.8 1.0
CB C:GLN114 4.8 47.4 1.0
CG C:GLN114 4.9 56.0 1.0
CA C:GLN114 4.9 51.0 1.0
OE1 C:GLN114 4.9 64.3 1.0
CB C:ALA105 5.0 44.8 1.0

Chlorine binding site 3 out of 10 in 3sq6

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Chlorine binding site 3 out of 10 in the Crystal Structures of the Ligand Binding Domain of A Pentameric ALPHA7 Nicotinic Receptor Chimera with Its Agonist Epibatidine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structures of the Ligand Binding Domain of A Pentameric ALPHA7 Nicotinic Receptor Chimera with Its Agonist Epibatidine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl300

b:33.9
occ:1.00
CL C:EPJ300 0.0 33.9 1.0
C10 C:EPJ300 1.7 47.3 1.0
N2 C:EPJ300 2.7 54.5 1.0
C9 C:EPJ300 2.7 50.5 1.0
O D:GLN114 3.0 65.0 1.0
O D:LEU104 3.4 50.4 1.0
N D:LEU106 3.5 58.6 1.0
C D:GLN114 3.5 61.8 1.0
CA D:TYR115 3.6 50.8 1.0
CA D:ALA105 3.7 53.4 1.0
N D:LEU116 3.7 50.2 1.0
N D:TYR115 3.8 55.4 1.0
C D:ALA105 3.9 56.1 1.0
C11 C:EPJ300 4.0 55.9 1.0
C8 C:EPJ300 4.0 52.1 1.0
CB D:LEU106 4.1 60.0 1.0
CG2 C:THR146 4.2 51.1 1.0
C D:TYR115 4.2 50.6 1.0
C D:LEU104 4.2 50.6 1.0
CG D:LEU106 4.3 59.3 1.0
CG D:GLN114 4.4 69.0 1.0
CA D:LEU106 4.4 61.0 1.0
N D:ALA105 4.4 53.4 1.0
CB D:GLN114 4.5 65.3 1.0
C7 C:EPJ300 4.6 47.6 1.0
CD1 D:LEU106 4.6 52.6 1.0
CA D:GLN114 4.6 62.5 1.0
CB D:ALA105 4.7 47.7 1.0
CD1 D:TYR115 4.8 44.9 1.0
CB D:TYR115 4.8 44.6 1.0
CA D:LEU116 4.9 46.8 1.0
O D:ALA105 4.9 57.0 1.0
CB D:LEU116 4.9 48.8 1.0

Chlorine binding site 4 out of 10 in 3sq6

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Chlorine binding site 4 out of 10 in the Crystal Structures of the Ligand Binding Domain of A Pentameric ALPHA7 Nicotinic Receptor Chimera with Its Agonist Epibatidine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structures of the Ligand Binding Domain of A Pentameric ALPHA7 Nicotinic Receptor Chimera with Its Agonist Epibatidine within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl300

b:30.3
occ:1.00
CL D:EPJ300 0.0 30.3 1.0
C10 D:EPJ300 1.7 40.0 1.0
N2 D:EPJ300 2.7 45.5 1.0
C9 D:EPJ300 2.7 46.1 1.0
O E:GLN114 2.9 50.0 1.0
N E:LEU116 3.5 48.4 1.0
O E:LEU104 3.5 44.5 1.0
C E:GLN114 3.6 53.0 1.0
N E:LEU106 3.7 48.9 1.0
CA E:TYR115 3.7 46.7 1.0
CA E:ALA105 3.8 42.9 1.0
C11 D:EPJ300 3.9 48.7 1.0
N E:TYR115 4.0 48.9 1.0
C8 D:EPJ300 4.0 49.8 1.0
C E:ALA105 4.0 46.3 1.0
C E:TYR115 4.1 47.6 1.0
CG E:LEU106 4.3 48.2 1.0
CG2 D:THR146 4.3 47.7 1.0
CB E:LEU116 4.4 57.1 1.0
C E:LEU104 4.4 41.0 1.0
CB E:LEU106 4.4 47.4 1.0
C7 D:EPJ300 4.5 50.0 1.0
CA E:LEU116 4.5 52.4 1.0
N E:ALA105 4.6 40.9 1.0
CG E:GLN114 4.6 63.9 1.0
CB E:GLN114 4.7 58.2 1.0
CA E:LEU106 4.7 50.7 1.0
CA E:GLN114 4.8 57.5 1.0
CD1 E:TYR115 4.8 31.1 1.0
CB E:ALA105 4.8 40.1 1.0
OE1 E:GLN114 4.9 65.5 1.0
CB E:TYR115 5.0 39.3 1.0

Chlorine binding site 5 out of 10 in 3sq6

Go back to Chlorine Binding Sites List in 3sq6
Chlorine binding site 5 out of 10 in the Crystal Structures of the Ligand Binding Domain of A Pentameric ALPHA7 Nicotinic Receptor Chimera with Its Agonist Epibatidine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structures of the Ligand Binding Domain of A Pentameric ALPHA7 Nicotinic Receptor Chimera with Its Agonist Epibatidine within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl300

b:32.5
occ:1.00
CL E:EPJ300 0.0 32.5 1.0
C10 E:EPJ300 1.7 42.6 1.0
N2 E:EPJ300 2.7 48.4 1.0
O A:GLN114 2.7 48.9 1.0
C9 E:EPJ300 2.7 42.9 1.0
O A:LEU104 3.2 45.8 1.0
CA A:ALA105 3.5 44.5 1.0
N A:LEU106 3.6 51.3 1.0
C A:GLN114 3.7 48.1 1.0
CG2 E:THR146 3.8 47.1 1.0
N A:LEU116 3.9 51.0 1.0
C A:ALA105 3.9 48.2 1.0
C11 E:EPJ300 4.0 43.1 1.0
C8 E:EPJ300 4.0 46.2 1.0
CA A:TYR115 4.0 47.7 1.0
C A:LEU104 4.1 42.9 1.0
CG A:LEU106 4.2 51.8 1.0
CB A:LEU116 4.3 56.6 1.0
C A:TYR115 4.3 49.7 1.0
N A:TYR115 4.3 44.7 1.0
N A:ALA105 4.3 42.9 1.0
CB A:LEU106 4.4 51.8 1.0
C7 E:EPJ300 4.5 43.8 1.0
CB A:ALA105 4.6 47.8 1.0
CA A:LEU106 4.6 50.8 1.0
CG A:GLN114 4.6 50.1 1.0
CD1 A:LEU106 4.7 52.8 1.0
CA A:LEU116 4.7 51.9 1.0
CB A:GLN114 4.8 49.0 1.0
O A:ALA105 4.9 46.1 1.0
CA A:GLN114 4.9 49.9 1.0
CB E:THR146 4.9 46.0 1.0

Chlorine binding site 6 out of 10 in 3sq6

Go back to Chlorine Binding Sites List in 3sq6
Chlorine binding site 6 out of 10 in the Crystal Structures of the Ligand Binding Domain of A Pentameric ALPHA7 Nicotinic Receptor Chimera with Its Agonist Epibatidine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structures of the Ligand Binding Domain of A Pentameric ALPHA7 Nicotinic Receptor Chimera with Its Agonist Epibatidine within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl300

b:31.5
occ:1.00
CL F:EPJ300 0.0 31.5 1.0
C10 F:EPJ300 1.7 44.1 1.0
N2 F:EPJ300 2.7 48.8 1.0
O G:GLN114 2.7 50.2 1.0
C9 F:EPJ300 2.7 46.1 1.0
O G:LEU104 3.4 48.6 1.0
C G:GLN114 3.7 50.9 1.0
N G:LEU106 3.8 60.5 1.0
CG2 F:THR146 3.9 38.2 1.0
N G:LEU116 3.9 49.5 1.0
CG G:LEU106 3.9 56.4 1.0
C11 F:EPJ300 3.9 46.5 1.0
C G:ALA105 4.0 58.5 1.0
CA G:ALA105 4.0 54.5 1.0
C8 F:EPJ300 4.0 48.5 1.0
CA G:TYR115 4.1 48.1 1.0
CB G:LEU106 4.1 55.6 1.0
CD1 G:LEU106 4.2 52.1 1.0
C G:LEU104 4.3 48.4 1.0
N G:TYR115 4.4 48.0 1.0
C G:TYR115 4.4 50.5 1.0
C7 F:EPJ300 4.5 43.8 1.0
CA G:LEU106 4.6 58.5 1.0
CB G:LEU116 4.6 55.9 1.0
N G:ALA105 4.6 50.9 1.0
O G:ALA105 4.7 63.3 1.0
CG G:GLN114 4.8 51.5 1.0
CD2 G:LEU116 4.8 55.7 1.0
CA G:LEU116 4.9 53.1 1.0
CB G:GLN114 4.9 44.6 1.0
CB F:THR146 4.9 44.7 1.0
CA G:GLN114 4.9 50.1 1.0
OE1 G:GLN114 4.9 57.0 1.0

Chlorine binding site 7 out of 10 in 3sq6

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Chlorine binding site 7 out of 10 in the Crystal Structures of the Ligand Binding Domain of A Pentameric ALPHA7 Nicotinic Receptor Chimera with Its Agonist Epibatidine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structures of the Ligand Binding Domain of A Pentameric ALPHA7 Nicotinic Receptor Chimera with Its Agonist Epibatidine within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl300

b:9.7
occ:1.00
CL G:EPJ300 0.0 9.7 1.0
C10 G:EPJ300 1.7 27.8 1.0
N2 G:EPJ300 2.6 38.9 1.0
C9 G:EPJ300 2.7 29.9 1.0
O H:GLN114 2.8 42.2 1.0
O H:LEU104 3.5 38.1 1.0
N H:LEU116 3.7 47.0 1.0
C H:GLN114 3.7 41.3 1.0
N H:LEU106 3.7 50.2 1.0
CA H:ALA105 3.9 40.7 1.0
CG2 G:THR146 3.9 38.4 1.0
C11 G:EPJ300 3.9 30.5 1.0
C8 G:EPJ300 4.0 37.6 1.0
CA H:TYR115 4.0 40.3 1.0
C H:ALA105 4.1 45.4 1.0
CB H:LEU116 4.1 55.7 1.0
CB H:LEU106 4.2 48.0 1.0
C H:TYR115 4.2 43.0 1.0
N H:TYR115 4.2 38.1 1.0
C H:LEU104 4.3 36.6 1.0
CG H:GLN114 4.4 50.3 1.0
CG H:LEU106 4.5 52.5 1.0
C7 G:EPJ300 4.5 33.7 1.0
N H:ALA105 4.5 39.4 1.0
CA H:LEU116 4.6 49.9 1.0
CA H:LEU106 4.6 49.7 1.0
CD1 H:LEU106 4.8 45.0 1.0
CB H:GLN114 4.8 44.2 1.0
CA H:GLN114 4.9 43.2 1.0
O H:ALA105 5.0 46.1 1.0
CB G:THR146 5.0 41.8 1.0

Chlorine binding site 8 out of 10 in 3sq6

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Chlorine binding site 8 out of 10 in the Crystal Structures of the Ligand Binding Domain of A Pentameric ALPHA7 Nicotinic Receptor Chimera with Its Agonist Epibatidine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structures of the Ligand Binding Domain of A Pentameric ALPHA7 Nicotinic Receptor Chimera with Its Agonist Epibatidine within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl300

b:34.7
occ:1.00
CL H:EPJ300 0.0 34.7 1.0
C10 H:EPJ300 1.7 45.4 1.0
N2 H:EPJ300 2.7 50.2 1.0
C9 H:EPJ300 2.7 45.2 1.0
O I:GLN114 2.8 55.5 1.0
O I:LEU104 3.2 37.8 1.0
N I:LEU106 3.5 51.8 1.0
CA I:ALA105 3.6 45.3 1.0
CA I:TYR115 3.7 48.9 1.0
C I:GLN114 3.7 54.5 1.0
N I:LEU116 3.8 45.7 1.0
C I:ALA105 3.9 48.6 1.0
C11 H:EPJ300 4.0 44.5 1.0
CG2 H:THR146 4.0 45.5 1.0
C8 H:EPJ300 4.0 48.1 1.0
C I:LEU104 4.0 41.8 1.0
N I:TYR115 4.1 51.2 1.0
N I:ALA105 4.2 43.8 1.0
C I:TYR115 4.3 44.7 1.0
CG I:LEU106 4.3 49.7 1.0
CB I:LEU106 4.3 52.1 1.0
CA I:LEU106 4.5 52.6 1.0
C7 H:EPJ300 4.5 36.1 1.0
CD1 I:TYR115 4.8 44.5 1.0
O I:ALA105 4.8 56.5 1.0
CG I:GLN114 4.8 58.5 1.0
CB I:ALA105 4.8 40.2 1.0
CB I:TYR115 4.8 43.6 1.0
CD1 I:LEU106 4.8 47.9 1.0
CA I:GLN114 4.9 52.4 1.0
CB H:THR146 4.9 51.0 1.0
CB I:GLN114 4.9 52.4 1.0
CA I:LEU116 5.0 45.6 1.0

Chlorine binding site 9 out of 10 in 3sq6

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Chlorine binding site 9 out of 10 in the Crystal Structures of the Ligand Binding Domain of A Pentameric ALPHA7 Nicotinic Receptor Chimera with Its Agonist Epibatidine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structures of the Ligand Binding Domain of A Pentameric ALPHA7 Nicotinic Receptor Chimera with Its Agonist Epibatidine within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl300

b:30.5
occ:1.00
CL I:EPJ300 0.0 30.5 1.0
C10 I:EPJ300 1.7 45.1 1.0
N2 I:EPJ300 2.7 49.5 1.0
C9 I:EPJ300 2.7 48.8 1.0
O J:GLN114 3.0 57.3 1.0
N J:LEU106 3.4 51.2 1.0
C J:GLN114 3.5 58.7 1.0
O J:LEU104 3.5 52.8 1.0
CA J:TYR115 3.7 50.0 1.0
N J:LEU116 3.8 49.7 1.0
CA J:ALA105 3.8 50.8 1.0
N J:TYR115 3.9 55.0 1.0
C11 I:EPJ300 4.0 46.5 1.0
CG2 I:THR146 4.0 39.5 1.0
C8 I:EPJ300 4.0 47.4 1.0
C J:ALA105 4.0 52.6 1.0
CB J:LEU106 4.1 44.0 1.0
CG J:LEU106 4.1 49.3 1.0
C J:TYR115 4.2 49.8 1.0
CA J:LEU106 4.4 49.9 1.0
C J:LEU104 4.4 48.0 1.0
CB J:GLN114 4.4 67.7 1.0
CG J:GLN114 4.5 77.2 1.0
N J:ALA105 4.5 49.9 1.0
C7 I:EPJ300 4.5 46.1 1.0
CA J:GLN114 4.6 61.0 1.0
CB J:LEU116 4.7 54.7 1.0
CD1 J:LEU106 4.7 44.4 1.0
CA J:LEU116 4.8 48.9 1.0
CB J:ALA105 4.9 47.9 1.0
OE1 J:GLN114 4.9 76.6 1.0
CB J:TYR115 5.0 45.9 1.0
CD1 J:TYR115 5.0 42.5 1.0

Chlorine binding site 10 out of 10 in 3sq6

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Chlorine binding site 10 out of 10 in the Crystal Structures of the Ligand Binding Domain of A Pentameric ALPHA7 Nicotinic Receptor Chimera with Its Agonist Epibatidine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structures of the Ligand Binding Domain of A Pentameric ALPHA7 Nicotinic Receptor Chimera with Its Agonist Epibatidine within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl300

b:37.6
occ:1.00
CL J:EPJ300 0.0 37.6 1.0
C10 J:EPJ300 1.7 48.4 1.0
N2 J:EPJ300 2.7 50.6 1.0
C9 J:EPJ300 2.7 48.2 1.0
O F:GLN114 2.7 49.9 1.0
O F:LEU104 3.3 53.4 1.0
N F:LEU106 3.5 53.6 1.0
C F:GLN114 3.6 53.3 1.0
N F:LEU116 3.7 60.6 1.0
CA F:ALA105 3.8 50.6 1.0
CA F:TYR115 3.9 55.0 1.0
C F:ALA105 3.9 52.6 1.0
C11 J:EPJ300 4.0 39.7 1.0
C8 J:EPJ300 4.0 50.3 1.0
CG F:LEU106 4.1 35.8 1.0
N F:TYR115 4.1 53.3 1.0
CG2 J:THR146 4.1 60.4 1.0
CB F:LEU106 4.1 43.9 1.0
C F:LEU104 4.2 50.0 1.0
C F:TYR115 4.2 56.4 1.0
CB F:LEU116 4.3 66.2 1.0
CA F:LEU106 4.4 51.2 1.0
N F:ALA105 4.4 50.7 1.0
C7 J:EPJ300 4.5 43.9 1.0
CG F:GLN114 4.6 51.5 1.0
CB F:GLN114 4.6 49.0 1.0
CA F:LEU116 4.7 60.5 1.0
CA F:GLN114 4.7 52.8 1.0
CD1 F:LEU106 4.8 21.9 1.0
O F:ALA105 4.9 53.7 1.0
CB F:ALA105 4.9 48.1 1.0

Reference:

S.X.Li, S.Huang, N.Bren, K.Noridomi, C.D.Dellisanti, S.M.Sine, L.Chen. Ligand-Binding Domain of An Alpha 7-Nicotinic Receptor Chimera and Its Complex with Agonist. Nat.Neurosci. V. 14 1253 2011.
ISSN: ISSN 1097-6256
PubMed: 21909087
DOI: 10.1038/NN.2908
Page generated: Sun Jul 21 04:43:46 2024

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