Chlorine in PDB 8p11: X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL003044.

The structure of X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL003044., PDB code: 8p11 was solved by D.Cederfelt, P.Boronat, D.Dobritzsch, S.Hennig, E.A.Fitzgerald, I.J.P.Deesch, U.H.Danielson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.31 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	76.25, 120.64, 240.01, 90, 90, 90
R / Rfree (%)	21.7 / 24.4

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 14;

Binding sites:

The binding sites of Chlorine atom in the X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL003044. (pdb code 8p11). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 14 binding sites of Chlorine where determined in the X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL003044., PDB code: 8p11:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 14 in the X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL003044.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL003044. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:40.6 occ:1.00 O E:HOH419 3.0 37.5 1.0 N A:SER94 3.2 34.5 1.0 NH1 A:ARG22 3.3 50.0 1.0 CE1 E:HIS164 3.5 34.7 1.0 CA A:VAL93 3.7 38.2 1.0 CD A:ARG22 3.8 45.0 1.0 CG2 E:ILE38 3.8 39.5 1.0 CB A:VAL93 3.8 34.4 1.0 C A:VAL93 4.0 35.1 1.0 O A:SER94 4.0 33.2 1.0 CB A:SER94 4.1 34.8 1.0 CA A:SER94 4.1 34.8 1.0 CG1 A:VAL93 4.2 35.0 1.0 CZ A:ARG22 4.2 51.2 1.0 ND1 E:HIS164 4.3 33.3 1.0 OG A:SER94 4.4 33.1 1.0 NE2 E:HIS164 4.4 36.7 1.0 CD1 A:LEU26 4.4 49.5 1.0 NE A:ARG22 4.4 45.6 1.0 CG A:ARG22 4.4 48.1 1.0 NH1 A:ARG123 4.6 39.9 1.0 C A:SER94 4.6 34.1 1.0 CB E:ILE38 4.7 38.6 1.0 OE1 E:GLU168 4.8 38.3 1.0 CB A:ARG22 4.9 42.2 1.0 O E:HOH443 4.9 31.3 1.0

Chlorine binding site 2 out of 14 in the X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL003044.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL003044. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:46.1 occ:1.00 O A:HOH422 2.9 47.2 1.0 NH1 B:ARG22 3.0 48.8 1.0 N B:SER94 3.2 42.2 1.0 CE1 A:HIS164 3.5 51.4 1.0 CA B:VAL93 3.6 42.7 1.0 CD B:ARG22 3.7 46.7 1.0 CG2 A:ILE38 3.8 41.5 1.0 CB B:VAL93 3.8 42.7 1.0 C B:VAL93 3.9 42.2 1.0 CZ B:ARG22 4.0 48.7 1.0 CG1 B:VAL93 4.1 45.5 1.0 CB B:SER94 4.2 39.5 1.0 CA B:SER94 4.2 41.9 1.0 O B:SER94 4.2 41.0 1.0 NE B:ARG22 4.3 48.5 1.0 ND1 A:HIS164 4.3 50.2 1.0 CG B:ARG22 4.4 44.5 1.0 NH1 B:ARG123 4.4 50.0 1.0 CD1 B:LEU26 4.5 51.8 1.0 OG B:SER94 4.5 41.0 1.0 NE2 A:HIS164 4.5 49.2 1.0 CB A:ILE38 4.7 44.0 1.0 OE1 A:GLU168 4.7 51.8 1.0 C B:SER94 4.8 37.3 1.0 CB B:ARG22 4.8 45.3 1.0 O B:GLN92 4.8 54.5 1.0 N B:VAL93 4.9 44.6 1.0

Chlorine binding site 3 out of 14 in the X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL003044.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL003044. within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl301 b:47.7 occ:1.00 N C:SER94 3.1 43.3 1.0 NH1 C:ARG22 3.1 60.3 1.0 O B:HOH507 3.1 47.1 1.0 CE1 B:HIS164 3.5 47.0 1.0 CA C:VAL93 3.6 42.1 1.0 CB C:VAL93 3.7 42.9 1.0 CD C:ARG22 3.8 51.2 1.0 CG2 B:ILE38 3.8 49.4 1.0 C C:VAL93 3.8 42.2 1.0 CB C:SER94 4.1 46.1 1.0 O C:SER94 4.1 39.3 1.0 CA C:SER94 4.1 44.5 1.0 CG1 C:VAL93 4.1 43.8 1.0 CZ C:ARG22 4.1 56.6 1.0 OG C:SER94 4.3 46.2 1.0 ND1 B:HIS164 4.3 45.3 1.0 NE C:ARG22 4.4 54.2 1.0 NE2 B:HIS164 4.4 44.0 1.0 NH1 C:ARG123 4.4 46.1 1.0 CG C:ARG22 4.5 53.6 1.0 CD1 C:LEU26 4.5 49.4 1.0 C C:SER94 4.6 41.7 1.0 CB B:ILE38 4.8 48.2 1.0 OE1 B:GLU168 4.8 52.9 1.0 O C:GLN92 4.8 39.5 1.0 CB C:ARG22 4.9 52.7 1.0 N C:VAL93 4.9 40.0 1.0 O B:HOH511 4.9 34.9 1.0

Chlorine binding site 4 out of 14 in the X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL003044.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL003044. within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl301 b:73.1 occ:1.00 CL1 D:WD5301 0.0 73.1 1.0 C5 D:WD5301 1.7 66.1 1.0 C6 D:WD5301 2.7 55.4 1.0 C4 D:WD5301 2.7 62.5 1.0 CE E:LYS53 3.4 65.2 1.0 CE2 E:TYR183 3.5 47.9 1.0 C7 D:WD5301 4.0 60.5 1.0 C3 D:WD5301 4.0 64.5 1.0 CD2 E:TYR183 4.1 44.9 1.0 OG D:SER205 4.2 78.0 1.0 CD E:LYS53 4.2 61.2 1.0 CG E:LYS53 4.3 50.4 1.0 NZ E:LYS53 4.4 62.1 1.0 SG D:CYS206 4.5 67.4 1.0 C2 D:WD5301 4.5 66.6 1.0 CZ E:TYR183 4.6 45.7 1.0 CE E:MET133 4.6 45.0 1.0 CB D:TYR204 4.6 49.5 1.0 NE2 E:GLN74 4.7 53.7 1.0 OH E:TYR183 4.8 47.0 1.0 CD1 D:TYR204 4.9 44.1 1.0 CB D:CYS206 4.9 71.0 1.0

Chlorine binding site 5 out of 14 in the X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL003044.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL003044. within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl302 b:42.3 occ:1.00 NH1 D:ARG22 3.0 56.9 1.0 O C:HOH415 3.1 48.2 1.0 N D:SER94 3.1 32.8 1.0 CE1 C:HIS164 3.4 38.8 1.0 CA D:VAL93 3.5 35.1 1.0 CB D:VAL93 3.8 32.9 1.0 CD D:ARG22 3.8 43.3 1.0 C D:VAL93 3.8 35.0 1.0 CG2 C:ILE38 3.9 46.3 1.0 CZ D:ARG22 4.1 58.4 1.0 CB D:SER94 4.1 37.8 1.0 CA D:SER94 4.1 36.5 1.0 CG1 D:VAL93 4.1 36.5 1.0 O D:SER94 4.2 38.2 1.0 ND1 C:HIS164 4.3 34.4 1.0 OG D:SER94 4.3 34.6 1.0 NH1 D:ARG123 4.3 40.9 1.0 NE D:ARG22 4.3 50.3 1.0 NE2 C:HIS164 4.4 31.0 1.0 CG D:ARG22 4.5 45.0 1.0 CD1 D:LEU26 4.5 45.7 1.0 OE1 C:GLU168 4.7 39.8 1.0 C D:SER94 4.7 37.3 1.0 O D:GLN92 4.7 43.5 1.0 CB C:ILE38 4.8 45.1 1.0 N D:VAL93 4.8 36.6 1.0 CB D:ARG22 4.9 38.6 1.0

Chlorine binding site 6 out of 14 in the X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL003044.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL003044. within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl301 b:35.6 occ:1.00 O D:HOH417 3.1 35.1 1.0 NH1 E:ARG22 3.1 45.9 1.0 N E:SER94 3.2 31.8 1.0 CE1 D:HIS164 3.5 27.7 1.0 CA E:VAL93 3.6 33.5 1.0 CB E:VAL93 3.8 33.6 1.0 CD E:ARG22 3.8 40.4 1.0 CG2 D:ILE38 3.9 38.5 1.0 C E:VAL93 3.9 31.8 1.0 CB E:SER94 4.1 31.1 1.0 CA E:SER94 4.1 30.4 1.0 O E:SER94 4.1 29.9 1.0 CG1 E:VAL93 4.1 36.8 1.0 CZ E:ARG22 4.1 45.3 1.0 ND1 D:HIS164 4.3 27.3 1.0 CD1 E:LEU26 4.3 45.6 1.0 OG E:SER94 4.3 31.0 1.0 NE E:ARG22 4.4 40.6 1.0 NE2 D:HIS164 4.4 27.0 1.0 NH1 E:ARG123 4.4 30.7 1.0 CG E:ARG22 4.4 46.4 1.0 C E:SER94 4.6 29.0 1.0 CB E:ARG22 4.8 44.7 1.0 OE1 D:GLU168 4.8 38.4 1.0 CB D:ILE38 4.8 35.6 1.0 O E:GLN92 4.9 36.2 1.0 N E:VAL93 4.9 31.6 1.0 O D:HOH430 5.0 33.3 1.0

Chlorine binding site 7 out of 14 in the X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL003044.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL003044. within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl301 b:57.1 occ:1.00 CL1 F:WD5301 0.0 57.1 1.0 C5 F:WD5301 1.7 68.4 1.0 C4 F:WD5301 2.7 60.6 1.0 C6 F:WD5301 2.7 63.7 1.0 O G:LEU131 2.9 31.9 1.0 N G:ARG123 3.5 32.7 1.0 O G:HOH429 3.6 49.3 1.0 C G:LEU131 3.7 34.0 1.0 CG G:ARG123 3.8 37.1 1.0 C3 F:WD5301 4.0 65.9 1.0 CA G:ALA122 4.0 29.9 1.0 C G:ALA122 4.0 31.5 1.0 C7 F:WD5301 4.0 65.1 1.0 CG2 F:THR163 4.0 33.1 1.0 CG G:LEU131 4.0 33.4 0.5 CB G:ARG123 4.0 34.9 1.0 N G:MET133 4.1 28.6 1.0 O G:LEU121 4.1 30.6 1.0 CA G:TYR132 4.2 33.9 1.0 N G:TYR132 4.3 32.1 1.0 CA G:ARG123 4.4 34.4 1.0 C2 F:WD5301 4.5 67.5 1.0 C G:TYR132 4.6 30.3 1.0 CB G:LEU131 4.6 32.5 0.5 CB G:LEU131 4.6 32.3 0.5 CB F:THR163 4.6 31.0 1.0 CD2 G:LEU131 4.6 35.4 0.5 CA G:LEU131 4.8 31.4 0.5 CA G:LEU131 4.8 31.2 0.5 C G:LEU121 4.8 29.3 1.0 N G:ALA122 4.9 30.4 1.0 CB G:MET133 4.9 33.3 1.0 O G:ALA122 5.0 32.5 1.0 CD1 G:LEU131 5.0 33.5 0.5

Chlorine binding site 8 out of 14 in the X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL003044.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL003044. within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl302 b:36.2 occ:1.00 O J:HOH424 3.1 37.7 1.0 N F:SER94 3.1 29.4 1.0 NH1 F:ARG22 3.2 43.9 1.0 CE1 J:HIS164 3.4 29.4 1.0 CA F:VAL93 3.6 32.3 1.0 CB F:VAL93 3.8 31.0 1.0 C F:VAL93 3.8 31.8 1.0 CG2 J:ILE38 3.9 35.4 1.0 CD F:ARG22 3.9 41.9 1.0 CB F:SER94 4.0 31.1 1.0 O F:SER94 4.0 30.2 1.0 CA F:SER94 4.1 30.4 1.0 CG1 F:VAL93 4.1 34.0 1.0 CZ F:ARG22 4.2 46.4 1.0 ND1 J:HIS164 4.3 30.1 1.0 OG F:SER94 4.3 31.1 1.0 NE2 J:HIS164 4.4 28.8 1.0 NH1 F:ARG123 4.4 31.8 1.0 NE F:ARG22 4.5 44.6 1.0 CD1 F:LEU26 4.5 44.4 1.0 CG F:ARG22 4.5 45.4 1.0 C F:SER94 4.6 31.4 1.0 OE1 J:GLU168 4.7 33.8 1.0 CB J:ILE38 4.8 34.1 1.0 O J:HOH426 4.9 31.3 1.0 O F:GLN92 4.9 37.4 1.0 N F:VAL93 4.9 31.1 1.0 CB F:ARG22 5.0 44.2 1.0

Chlorine binding site 9 out of 14 in the X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL003044.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL003044. within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl301 b:51.1 occ:1.00 CL1 G:WD5301 0.0 51.1 1.0 C5 G:WD5301 1.7 52.8 1.0 C6 G:WD5301 2.7 45.2 1.0 C4 G:WD5301 2.7 43.7 1.0 O H:LEU131 3.0 28.3 1.0 O H:HOH437 3.4 39.6 1.0 N H:ARG123 3.6 27.9 1.0 C H:LEU131 3.9 31.9 1.0 CG2 G:THR163 3.9 30.4 1.0 CG H:ARG123 3.9 37.1 1.0 O H:LEU121 3.9 26.7 1.0 CA H:ALA122 4.0 30.7 1.0 C7 G:WD5301 4.0 49.4 1.0 C3 G:WD5301 4.0 55.0 1.0 C H:ALA122 4.0 30.4 1.0 N H:MET133 4.1 29.1 1.0 CG H:LEU131 4.1 39.0 1.0 CB H:ARG123 4.1 32.0 1.0 CA H:TYR132 4.2 30.1 1.0 N H:TYR132 4.4 27.7 1.0 CA H:ARG123 4.5 30.0 1.0 C2 G:WD5301 4.5 52.2 1.0 CB G:THR163 4.5 30.1 1.0 CD2 H:LEU131 4.5 43.7 1.0 C H:TYR132 4.6 29.6 1.0 CB H:LEU131 4.7 34.3 1.0 C H:LEU121 4.7 31.7 1.0 N H:ALA122 4.8 28.6 1.0 CB H:MET133 4.8 34.0 1.0 CA H:LEU131 4.9 31.6 1.0 O H:ALA122 5.0 31.1 1.0 CA H:MET133 5.0 30.4 1.0

Chlorine binding site 10 out of 14 in the X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL003044.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of X-Ray Structure of Acetylcholine-Binding Protein (Achbp) in Complex with FL003044. within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl302 b:36.6 occ:1.00 O F:HOH426 3.0 40.5 1.0 N G:SER94 3.1 31.8 1.0 NH1 G:ARG22 3.1 52.9 1.0 CE1 F:HIS164 3.5 33.1 1.0 CA G:VAL93 3.5 32.6 1.0 CB G:VAL93 3.7 32.2 1.0 C G:VAL93 3.8 33.0 1.0 CD G:ARG22 3.8 44.4 1.0 CG2 F:ILE38 3.9 38.8 1.0 CB G:SER94 4.1 33.7 1.0 CA G:SER94 4.1 34.9 1.0 CG1 G:VAL93 4.1 34.5 1.0 O G:SER94 4.1 34.1 1.0 CZ G:ARG22 4.2 52.9 1.0 OG G:SER94 4.3 32.0 1.0 NH1 G:ARG123 4.3 34.2 1.0 ND1 F:HIS164 4.4 31.9 1.0 NE G:ARG22 4.4 46.7 1.0 CD1 G:LEU26 4.4 39.5 1.0 NE2 F:HIS164 4.5 32.6 1.0 CG G:ARG22 4.5 42.6 1.0 C G:SER94 4.6 35.3 1.0 OE1 F:GLU168 4.7 33.7 1.0 O G:GLN92 4.8 34.8 1.0 CB F:ILE38 4.8 38.5 1.0 N G:VAL93 4.8 32.9 1.0 CB G:ARG22 4.9 39.4 1.0 O F:HOH417 4.9 34.4 1.0

E.A.Fitzgerald, D.Cederfelt, P.Boronat, B.Aarmo Lund, D.Dobritzsch, I.J.P.De Esch, U.H.Danielson. Elucidating the Regulation of Ligand Gated Ion Channels Via Biophysical Studies of Ligand-Induced Conformational Dynamics of Acetylcholine Binding Proteins To Be Published.