Chlorine in PDB 2zjv: Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein (Ls-Achbp) Complexed with Clothianidin

The structure of Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein (Ls-Achbp) Complexed with Clothianidin, PDB code: 2zjv was solved by T.Okajima, M.Ihara, A.Yamashita, T.Oda, T.Morimoto, K.Matsuda, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.26 / 2.70
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	74.564, 74.564, 351.049, 90.00, 90.00, 120.00
R / Rfree (%)	20.2 / 27

The binding sites of Chlorine atom in the Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein (Ls-Achbp) Complexed with Clothianidin (pdb code 2zjv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein (Ls-Achbp) Complexed with Clothianidin, PDB code: 2zjv:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein (Ls-Achbp) Complexed with Clothianidin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein (Ls-Achbp) Complexed with Clothianidin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:63.8 occ:1.00 CL A:CT4301 0.0 63.8 1.0 C4 A:CT4301 1.7 66.9 1.0 N4 A:CT4301 2.7 67.1 1.0 S A:CT4301 3.0 66.6 1.0 O B:LEU112 3.0 32.0 1.0 O B:HOH305 3.2 25.3 1.0 N B:ARG104 3.4 33.9 1.0 O B:LEU102 3.7 30.4 1.0 CB B:ARG104 3.7 37.5 1.0 C B:LEU112 3.8 32.1 1.0 C5 A:CT4301 3.8 67.5 1.0 CG B:LEU112 3.8 33.0 1.0 N B:MET114 3.9 33.1 1.0 CA B:ALA103 3.9 31.8 1.0 C B:ALA103 4.0 32.2 1.0 CA B:TYR113 4.0 31.1 1.0 C2 A:CT4301 4.1 67.5 1.0 CA B:ARG104 4.2 35.5 1.0 CG2 A:THR144 4.2 34.3 1.0 N B:TYR113 4.2 30.7 1.0 CD2 B:LEU112 4.4 33.0 1.0 C B:TYR113 4.5 32.5 1.0 CB B:LEU112 4.5 33.7 1.0 C B:LEU102 4.5 31.7 1.0 CD1 B:LEU112 4.7 30.5 1.0 N B:ALA103 4.7 31.7 1.0 CA B:LEU112 4.8 33.2 1.0 CG B:ARG104 4.9 39.0 1.0 CB A:THR144 4.9 34.1 1.0 O B:ALA103 4.9 31.4 1.0 CA B:MET114 4.9 33.0 1.0 CB B:MET114 5.0 35.6 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein (Ls-Achbp) Complexed with Clothianidin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein (Ls-Achbp) Complexed with Clothianidin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:40.0 occ:1.00 CL B:CT4301 0.0 40.0 1.0 C4 B:CT4301 1.7 45.1 1.0 N4 B:CT4301 2.7 46.0 1.0 S B:CT4301 2.9 47.8 1.0 O C:LEU112 3.0 32.2 1.0 O B:HOH352 3.3 38.6 1.0 N C:ARG104 3.5 32.7 1.0 CB C:ARG104 3.6 35.0 1.0 O C:LEU102 3.7 29.1 1.0 C C:ALA103 3.8 32.0 1.0 C5 B:CT4301 3.8 46.6 1.0 C C:LEU112 3.9 32.5 1.0 CG2 B:THR144 3.9 27.6 1.0 CA C:ALA103 3.9 31.8 1.0 CG C:LEU112 4.1 32.5 1.0 C2 B:CT4301 4.1 48.6 1.0 CA C:TYR113 4.1 28.1 1.0 CA C:ARG104 4.2 32.5 1.0 N C:MET114 4.2 28.7 1.0 N C:TYR113 4.3 29.5 1.0 CD2 C:LEU112 4.4 33.0 1.0 CG C:ARG104 4.5 38.2 1.0 CD C:ARG104 4.5 38.9 1.0 O C:ALA103 4.6 30.3 1.0 C C:LEU102 4.6 29.0 1.0 CB C:LEU112 4.6 32.5 1.0 CB B:THR144 4.6 29.0 1.0 C C:TYR113 4.6 29.8 1.0 N C:ALA103 4.7 30.6 1.0 CA C:LEU112 4.9 33.0 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein (Ls-Achbp) Complexed with Clothianidin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein (Ls-Achbp) Complexed with Clothianidin within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl301 b:73.0 occ:1.00 CL C:CT4301 0.0 73.0 1.0 C4 C:CT4301 1.7 74.3 1.0 N4 C:CT4301 2.6 74.6 1.0 O D:LEU112 2.7 25.6 1.0 S C:CT4301 2.9 74.5 1.0 O C:HOH304 3.1 18.9 1.0 CA D:TYR113 3.6 24.0 1.0 C D:LEU112 3.6 25.7 1.0 N D:ARG104 3.7 25.9 1.0 N D:MET114 3.7 24.5 1.0 CA D:ALA103 3.8 23.3 1.0 O D:LEU102 3.8 24.9 1.0 C5 C:CT4301 3.8 74.8 1.0 CB D:ARG104 3.8 25.4 1.0 C D:ALA103 3.8 25.3 1.0 N D:TYR113 4.0 25.1 1.0 C2 C:CT4301 4.0 75.6 1.0 C D:TYR113 4.1 24.3 1.0 CG2 C:THR144 4.3 25.0 1.0 CG D:LEU112 4.3 32.5 1.0 CA D:ARG104 4.4 24.9 1.0 CD1 D:TYR113 4.5 23.0 1.0 O D:ALA103 4.6 26.3 1.0 C D:LEU102 4.6 24.0 1.0 CB D:TYR113 4.7 24.6 1.0 N D:ALA103 4.7 23.9 1.0 CB D:ALA103 4.7 21.5 1.0 CA D:MET114 4.8 27.5 1.0 CB D:MET114 4.8 30.6 1.0 CA D:LEU112 4.8 26.6 1.0 CB D:LEU112 4.8 28.6 1.0 CG D:ARG104 5.0 27.4 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein (Ls-Achbp) Complexed with Clothianidin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein (Ls-Achbp) Complexed with Clothianidin within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl301 b:33.5 occ:1.00 CL D:CT4301 0.0 33.5 1.0 C4 D:CT4301 1.7 39.0 1.0 N4 D:CT4301 2.6 39.8 1.0 O E:LEU112 2.7 27.0 1.0 S D:CT4301 2.9 39.1 1.0 O D:HOH303 3.4 10.0 1.0 N E:ARG104 3.6 28.3 1.0 CB E:ARG104 3.7 30.6 1.0 C E:LEU112 3.8 27.1 1.0 C5 D:CT4301 3.8 40.2 1.0 O E:LEU102 3.8 22.6 1.0 CG E:LEU112 3.9 24.7 1.0 CG2 D:THR144 4.0 29.6 1.0 C2 D:CT4301 4.1 40.5 1.0 CA E:ALA103 4.1 25.1 1.0 C E:ALA103 4.1 26.4 1.0 N E:MET114 4.2 23.5 1.0 CA E:ARG104 4.2 28.4 1.0 CA E:TYR113 4.3 23.6 1.0 N E:TYR113 4.5 25.3 1.0 CB D:THR144 4.5 30.1 1.0 CD2 E:LEU112 4.5 24.5 1.0 CB E:LEU112 4.6 25.4 1.0 C E:LEU102 4.7 22.5 1.0 C E:TYR113 4.7 23.1 1.0 CG E:ARG104 4.7 34.6 1.0 CD1 E:LEU112 4.8 22.9 1.0 N E:ALA103 4.8 24.5 1.0 CA E:LEU112 4.9 26.9 1.0 CB E:MET114 4.9 27.2 1.0 CD E:ARG104 5.0 34.3 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein (Ls-Achbp) Complexed with Clothianidin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein (Ls-Achbp) Complexed with Clothianidin within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl301 b:45.7 occ:1.00 CL E:CT4301 0.0 45.7 1.0 C4 E:CT4301 1.7 49.0 1.0 N4 E:CT4301 2.6 50.6 1.0 O A:LEU112 2.7 26.9 1.0 S E:CT4301 2.9 53.3 1.0 O E:HOH358 3.2 30.0 1.0 N A:ARG104 3.4 31.3 1.0 O A:LEU102 3.6 23.9 1.0 C A:LEU112 3.6 27.6 1.0 CB A:ARG104 3.7 31.2 1.0 CA A:ALA103 3.8 28.8 1.0 C5 E:CT4301 3.8 51.7 1.0 C A:ALA103 3.8 29.6 1.0 CA A:TYR113 3.8 27.8 1.0 N A:MET114 3.9 25.9 1.0 CG2 E:THR144 3.9 24.6 1.0 C2 E:CT4301 4.0 53.5 1.0 CA A:ARG104 4.1 31.4 1.0 N A:TYR113 4.1 28.3 1.0 CG A:LEU112 4.2 27.1 1.0 C A:TYR113 4.4 27.1 1.0 C A:LEU102 4.4 26.4 1.0 N A:ALA103 4.6 27.7 1.0 CB A:LEU112 4.7 26.5 1.0 CB E:THR144 4.7 24.2 1.0 O A:ALA103 4.7 28.3 1.0 CD2 A:LEU112 4.7 25.2 1.0 CD1 A:TYR113 4.8 30.2 1.0 CA A:LEU112 4.8 27.5 1.0 CB A:MET114 4.9 28.9 1.0 CG A:ARG104 4.9 33.3 1.0 CB A:ALA103 4.9 27.9 1.0 CA A:MET114 4.9 24.8 1.0

M.Ihara, T.Okajima, A.Yamashita, T.Oda, K.Hirata, H.Nishiwaki, T.Morimoto, M.Akamatsu, Y.Ashikawa, S.Kuroda, R.Mega, S.Kuramitsu, D.B.Sattelle, K.Matsuda. Crystal Structures of Lymnaea Stagnalis Achbp in Complex with Neonicotinoid Insecticides Imidacloprid and Clothianidin Invert.Neurosci. V. 8 71 2008.
ISSN: ISSN 1354-2516
PubMed: 18338186
DOI: 10.1007/S10158-008-0069-3