Chlorine in PDB 4bqt: Aplysia Californica Achbp in Complex with Cytisine

The structure of Aplysia Californica Achbp in Complex with Cytisine, PDB code: 4bqt was solved by P.Rucktooa, C.A.Haseler, R.Vanelke, A.B.Smit, T.Gallagher, T.K.Sixma, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.72 / 2.88
Space group	I 2 3 1
Cell size a, b, c (Å), α, β, γ (°)	206.689, 206.689, 206.689, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 22.4

The structure of Aplysia Californica Achbp in Complex with Cytisine also contains other interesting chemical elements:

Cobalt

(Co)

1 atom

Pages:

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

Binding sites:

The binding sites of Chlorine atom in the Aplysia Californica Achbp in Complex with Cytisine (pdb code 4bqt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 11 binding sites of Chlorine where determined in the Aplysia Californica Achbp in Complex with Cytisine, PDB code: 4bqt:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 11 in the Aplysia Californica Achbp in Complex with Cytisine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Aplysia Californica Achbp in Complex with Cytisine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl321 b:64.0 occ:1.00 NZ A:LYS40 3.4 55.3 1.0 NH2 E:ARG95 3.7 54.3 1.0 CE A:LYS40 4.7 51.5 1.0 CZ E:ARG95 4.8 54.2 1.0

Chlorine binding site 2 out of 11 in the Aplysia Californica Achbp in Complex with Cytisine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Aplysia Californica Achbp in Complex with Cytisine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl321 b:69.4 occ:1.00 N B:GLN1 2.9 85.8 1.0 ND2 B:ASN3 3.2 73.8 1.0 N B:ALA2 3.7 76.0 1.0 CB B:ALA2 3.8 74.0 1.0 OE1 B:GLN1 3.9 80.2 1.0 N B:ASN3 4.1 70.7 1.0 CA B:GLN1 4.2 78.9 1.0 CG B:ASN3 4.3 73.1 1.0 CA B:ALA2 4.3 73.8 1.0 C B:GLN1 4.3 76.4 1.0 CB B:ASN3 4.7 71.4 1.0 C B:ALA2 4.8 72.8 1.0 CD B:GLN1 4.9 77.5 1.0

Chlorine binding site 3 out of 11 in the Aplysia Californica Achbp in Complex with Cytisine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Aplysia Californica Achbp in Complex with Cytisine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl322 b:64.6 occ:1.00 NZ B:LYS171 3.6 51.6 1.0 NE B:ARG205 3.8 69.6 1.0 CG B:ARG205 4.2 64.9 1.0 NH2 B:ARG205 4.4 67.2 1.0 CE B:LYS171 4.6 51.3 1.0 CZ B:ARG205 4.6 69.7 1.0 CD B:ARG205 4.6 66.5 1.0 CD B:LYS171 4.9 50.3 1.0

Chlorine binding site 4 out of 11 in the Aplysia Californica Achbp in Complex with Cytisine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Aplysia Californica Achbp in Complex with Cytisine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl323 b:70.5 occ:1.00 NZ B:LYS40 3.3 63.0 1.0 NH2 A:ARG95 3.7 31.7 0.5 CE B:LYS40 4.7 56.1 1.0 CZ A:ARG95 4.9 31.2 0.5

Chlorine binding site 5 out of 11 in the Aplysia Californica Achbp in Complex with Cytisine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Aplysia Californica Achbp in Complex with Cytisine within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl321 b:66.2 occ:1.00 N C:GLN1 2.8 91.1 1.0 ND2 C:ASN3 3.1 73.1 1.0 N C:ALA2 3.6 83.9 1.0 CB C:ALA2 3.8 86.4 1.0 OE1 C:GLN1 3.9 0.1 1.0 N C:ASN3 4.0 75.5 1.0 CA C:GLN1 4.1 88.1 1.0 C C:GLN1 4.2 85.2 1.0 CG C:ASN3 4.2 71.9 1.0 CA C:ALA2 4.3 83.2 1.0 CB C:ASN3 4.6 71.0 1.0 C C:ALA2 4.7 80.2 1.0 CD C:GLN1 4.8 97.4 1.0 CA C:ASN3 4.9 72.1 1.0

Chlorine binding site 6 out of 11 in the Aplysia Californica Achbp in Complex with Cytisine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Aplysia Californica Achbp in Complex with Cytisine within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl322 b:56.1 occ:1.00 NZ C:LYS40 3.2 69.7 1.0 NH2 B:ARG95 3.7 57.6 1.0 CE C:LYS40 4.5 62.2 1.0 OE1 B:GLU47 4.7 42.4 1.0 CD C:LYS40 4.8 54.7 1.0 CZ B:ARG95 4.8 58.5 1.0 OD2 B:ASP42 5.0 43.3 1.0

Chlorine binding site 7 out of 11 in the Aplysia Californica Achbp in Complex with Cytisine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Aplysia Californica Achbp in Complex with Cytisine within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl321 b:66.1 occ:1.00 N D:GLN1 3.1 84.0 1.0 ND2 D:ASN3 3.2 83.5 1.0 CB D:ALA2 3.6 86.4 1.0 N D:ALA2 3.6 81.7 1.0 N D:ASN3 4.1 81.9 1.0 CA D:ALA2 4.2 84.2 1.0 CG D:ASN3 4.4 81.4 1.0 CA D:GLN1 4.4 79.2 1.0 C D:GLN1 4.4 78.4 1.0 C D:ALA2 4.7 85.3 1.0 CB D:ASN3 4.9 80.6 1.0

Chlorine binding site 8 out of 11 in the Aplysia Californica Achbp in Complex with Cytisine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Aplysia Californica Achbp in Complex with Cytisine within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl322 b:62.8 occ:1.00 N D:GLN103 3.5 47.8 1.0 CA D:PRO102 3.8 46.4 1.0 CG D:GLN103 3.9 63.5 1.0 CB D:PRO102 4.2 45.7 1.0 C D:PRO102 4.2 47.1 1.0 CB D:GLN103 4.3 55.7 1.0 CA D:GLN103 4.5 50.0 1.0 N D:PRO102 5.0 44.1 1.0

Chlorine binding site 9 out of 11 in the Aplysia Californica Achbp in Complex with Cytisine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Aplysia Californica Achbp in Complex with Cytisine within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl323 b:69.2 occ:1.00 NH2 C:ARG95 3.4 61.0 1.0 NZ D:LYS40 3.7 57.1 1.0 CZ C:ARG95 4.6 55.9 1.0 OE1 C:GLU47 4.9 44.3 1.0 NE C:ARG95 4.9 50.6 1.0 CE D:LYS40 5.0 56.5 1.0

Chlorine binding site 10 out of 11 in the Aplysia Californica Achbp in Complex with Cytisine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Aplysia Californica Achbp in Complex with Cytisine within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl321 b:77.5 occ:1.00 O E:GLN1 2.3 85.8 1.0 OD1 E:ASN3 3.0 90.0 1.0 C E:GLN1 3.2 80.9 1.0 N E:ALA2 3.3 83.3 1.0 CG E:ASN3 4.1 86.3 1.0 N E:ASN3 4.2 81.7 1.0 NE2 E:GLN1 4.3 81.0 1.0 CA E:ALA2 4.5 83.5 1.0 CA E:GLN1 4.6 74.2 1.0 CB E:ASN3 4.7 82.7 1.0 C E:ALA2 4.9 83.6 1.0 CB E:GLN1 4.9 71.5 1.0 CD E:GLN1 5.0 75.2 1.0

P.Rucktooa, C.A.Haseler, R.Van Elk, A.B.Smit, T.Gallagher, T.K.Sixma. Structural Characterization of Binding Mode of Smoking Cessation Drugs to Nicotinic Acetylcholine Receptors Through Study of Ligand Complexes with Acetylcholine-Binding Protein. J.Biol.Chem. V. 287 23283 2012.
ISSN: ISSN 0021-9258
PubMed: 22553201
DOI: 10.1074/JBC.M112.360347