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

Protein crystallography data

The structure of Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein (Ls-Achbp) Complexed with Imidacloprid, PDB code: 2zju 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) 15.78 / 2.58
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 74.965, 74.965, 351.014, 90.00, 90.00, 120.00
R / Rfree (%) 20.3 / 27.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein (Ls-Achbp) Complexed with Imidacloprid (pdb code 2zju). 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 Imidacloprid, PDB code: 2zju:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 2zju

Go back to Chlorine Binding Sites List in 2zju
Chlorine binding site 1 out of 5 in the Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein (Ls-Achbp) Complexed with Imidacloprid


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 Imidacloprid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:44.3
occ:1.00
 CL7 A:IM4301 0.0 44.3 1.0
C1 A:IM4301 1.7 47.4 1.0
N2 A:IM4301 2.7 47.9 1.0
C6 A:IM4301 2.7 49.3 1.0
O B:LEU112 2.8 31.1 1.0
O A:HOH302 3.2 29.4 1.0
N B:ARG104 3.4 29.0 1.0
C B:LEU112 3.5 31.8 1.0
CB B:ARG104 3.7 31.6 1.0
N B:MET114 3.7 33.1 1.0
CA B:TYR113 3.8 30.1 1.0
O B:LEU102 3.8 25.4 1.0
CG B:LEU112 3.8 41.2 1.0
CA B:ALA103 3.9 27.1 1.0
C B:ALA103 3.9 28.1 1.0
C3 A:IM4301 3.9 50.2 1.0
N B:TYR113 3.9 30.6 1.0
C5 A:IM4301 4.0 49.3 1.0
CA B:ARG104 4.2 29.9 1.0
CG2 A:THR144 4.2 37.3 1.0
C B:TYR113 4.2 30.7 1.0
CB B:LEU112 4.4 36.5 1.0
CD2 B:LEU112 4.4 40.4 1.0
C4 A:IM4301 4.5 51.0 1.0
CA B:LEU112 4.6 34.1 1.0
CB B:MET114 4.6 39.5 1.0
C B:LEU102 4.7 26.6 1.0
CA B:MET114 4.7 35.2 1.0
N B:ALA103 4.8 26.4 1.0
CD1 B:LEU112 4.8 39.9 1.0
O B:ALA103 4.9 28.9 1.0
CG B:ARG104 4.9 33.3 1.0
CB B:ALA103 4.9 23.9 1.0

Chlorine binding site 2 out of 5 in 2zju

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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 Imidacloprid


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 Imidacloprid within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl301

b:38.2
occ:1.00
 CL7 C:IM4301 0.0 38.2 1.0
C1 C:IM4301 1.7 42.6 1.0
N2 C:IM4301 2.7 44.9 1.0
C6 C:IM4301 2.7 45.9 1.0
O C:LEU112 2.8 34.5 1.0
O C:HOH303 3.3 14.3 1.0
N C:ARG104 3.4 29.2 1.0
C C:LEU112 3.4 33.8 1.0
CB C:ARG104 3.6 31.0 1.0
CA C:TYR113 3.7 29.0 1.0
N C:MET114 3.8 30.8 1.0
CG C:LEU112 3.8 43.5 1.0
C C:ALA103 3.8 27.9 1.0
CA C:ALA103 3.8 26.1 1.0
N C:TYR113 3.8 31.2 1.0
C3 C:IM4301 3.9 46.1 1.0
C5 C:IM4301 4.0 45.7 1.0
O C:LEU102 4.1 27.2 1.0
CA C:ARG104 4.1 29.8 1.0
CB C:LEU112 4.2 38.7 1.0
C C:TYR113 4.2 29.6 1.0
CD2 C:LEU112 4.3 42.9 1.0
CA C:LEU112 4.4 35.7 1.0
C4 C:IM4301 4.5 47.3 1.0
CG2 B:THR144 4.6 26.2 1.0
CB C:MET114 4.6 38.4 1.0
O C:ALA103 4.7 27.8 1.0
N C:ALA103 4.7 26.0 1.0
CG C:ARG104 4.8 32.5 1.0
CB C:ALA103 4.8 24.9 1.0
C C:LEU102 4.8 26.0 1.0
CA C:MET114 4.8 32.9 1.0
CD1 C:LEU112 4.9 45.6 1.0

Chlorine binding site 3 out of 5 in 2zju

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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 Imidacloprid


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 Imidacloprid within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl301

b:16.0
occ:1.00
 CL7 D:IM4301 0.0 16.0 1.0
C1 D:IM4301 1.7 22.1 1.0
N2 D:IM4301 2.6 28.0 1.0
C6 D:IM4301 2.7 26.9 1.0
O D:LEU112 2.7 25.6 1.0
C D:LEU112 3.3 25.9 1.0
N D:ARG104 3.4 25.4 1.0
O D:HOH311 3.4 11.4 1.0
CB D:ARG104 3.5 27.9 1.0
CA D:TYR113 3.7 27.7 1.0
C D:ALA103 3.7 25.9 1.0
N D:TYR113 3.7 25.5 1.0
CA D:ALA103 3.8 24.1 1.0
N D:MET114 3.8 30.9 1.0
C3 D:IM4301 3.9 27.9 1.0
CB D:LEU112 3.9 29.5 1.0
O D:LEU102 4.0 21.7 1.0
C5 D:IM4301 4.0 26.9 1.0
CA D:ARG104 4.1 26.7 1.0
C D:TYR113 4.2 29.2 1.0
CA D:LEU112 4.2 27.8 1.0
CG D:ARG104 4.4 28.6 1.0
C4 D:IM4301 4.5 30.1 1.0
O D:ALA103 4.5 26.5 1.0
CD D:ARG104 4.7 30.4 1.0
CB D:ALA103 4.7 22.7 1.0
CG2 C:THR144 4.7 25.2 1.0
CB D:MET114 4.8 35.4 1.0
CE D:MET114 4.8 47.0 1.0
N D:ALA103 4.8 23.2 1.0
C D:LEU102 4.8 23.1 1.0
CA D:MET114 4.9 33.4 1.0
CB D:TYR113 4.9 26.6 1.0
CG D:MET114 4.9 41.7 1.0
CD1 D:TYR113 5.0 25.4 1.0
N D:LEU112 5.0 28.5 1.0

Chlorine binding site 4 out of 5 in 2zju

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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 Imidacloprid


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 Imidacloprid within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl302

b:41.4
occ:1.00
 CL7 D:IM4302 0.0 41.4 1.0
C1 D:IM4302 1.7 43.5 1.0
N2 D:IM4302 2.7 45.4 1.0
C6 D:IM4302 2.7 45.4 1.0
O E:LEU112 2.8 35.0 1.0
N E:ARG104 3.3 31.1 1.0
O E:HOH304 3.4 16.0 1.0
C E:LEU112 3.5 36.3 1.0
CB E:ARG104 3.6 32.8 1.0
CA E:TYR113 3.7 33.0 1.0
O E:LEU102 3.7 26.3 1.0
CA E:ALA103 3.9 27.6 1.0
CG E:LEU112 3.9 40.0 1.0
C E:ALA103 3.9 29.1 1.0
N E:MET114 3.9 32.6 1.0
N E:TYR113 3.9 35.3 1.0
C3 D:IM4302 3.9 46.9 1.0
C5 D:IM4302 4.0 46.2 1.0
CA E:ARG104 4.1 32.3 1.0
C E:TYR113 4.3 32.7 1.0
CG2 D:THR144 4.4 25.5 1.0
CD2 E:LEU112 4.4 37.3 1.0
CB E:LEU112 4.5 37.7 1.0
C4 D:IM4302 4.5 47.2 1.0
C E:LEU102 4.6 26.3 1.0
CA E:LEU112 4.6 37.1 1.0
N E:ALA103 4.7 26.1 1.0
CD1 E:LEU112 4.8 40.1 1.0
O E:ALA103 4.8 31.0 1.0
CG E:ARG104 4.8 37.6 1.0
CB E:TYR113 4.8 31.4 1.0
CB E:ALA103 4.9 27.8 1.0
CB E:MET114 4.9 34.1 1.0
CD1 E:TYR113 4.9 27.9 1.0
CA E:MET114 5.0 31.5 1.0

Chlorine binding site 5 out of 5 in 2zju

Go back to Chlorine Binding Sites List in 2zju
Chlorine binding site 5 out of 5 in the Crystal Structure of Lymnaea Stagnalis Acetylcholine Binding Protein (Ls-Achbp) Complexed with Imidacloprid


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 Imidacloprid within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl301

b:29.4
occ:1.00
 CL7 E:IM4301 0.0 29.4 1.0
C1 E:IM4301 1.7 33.7 1.0
O A:LEU112 2.6 27.6 1.0
N2 E:IM4301 2.6 36.2 1.0
C6 E:IM4301 2.7 34.8 1.0
N A:ARG104 3.3 26.5 1.0
C A:LEU112 3.4 28.5 1.0
O A:HOH356 3.4 25.0 1.0
CB A:ARG104 3.4 29.7 1.0
CA A:TYR113 3.7 26.2 1.0
CG A:LEU112 3.7 34.5 1.0
CA A:ALA103 3.8 26.5 1.0
N A:TYR113 3.8 27.4 1.0
C A:ALA103 3.8 26.1 1.0
O A:LEU102 3.9 26.2 1.0
C3 E:IM4301 3.9 38.0 1.0
N A:MET114 4.0 26.3 1.0
CA A:ARG104 4.0 26.8 1.0
C5 E:IM4301 4.0 37.2 1.0
CD2 A:LEU112 4.2 34.0 1.0
C A:TYR113 4.2 25.4 1.0
CB A:LEU112 4.2 30.6 1.0
CG2 E:THR144 4.2 29.4 1.0
CA A:LEU112 4.4 29.3 1.0
C4 E:IM4301 4.5 40.1 1.0
CG A:ARG104 4.6 30.1 1.0
CB A:ALA103 4.7 23.5 1.0
C A:LEU102 4.8 26.0 1.0
O A:ALA103 4.8 27.4 1.0
N A:ALA103 4.8 27.2 1.0
CD1 A:LEU112 4.8 33.7 1.0
CB A:MET114 4.9 32.5 1.0
CD1 A:TYR113 4.9 25.5 1.0
CB A:TYR113 4.9 24.7 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: Sat Dec 12 09:30:32 2020

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