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

Protein crystallography data

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

Chlorine Binding Sites:

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 2zjv

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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 2zjv

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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 2zjv

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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 2zjv

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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 2zjv

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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

Reference:

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
Page generated: Fri Jul 11 02:55:16 2025

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