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3u8l

Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3570 (1-(5-phenylpyridin-3-yl)-1,4-diazepane)

Method: X-RAY DIFFRACTION Dmax: 131.8 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Acetylcholine-binding protein

Lymnaea stagnalis

UniProt P58154

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein homooligomer Homooligomer Protein × 5 PDB declaration: pentameric（5） Consistent with protein copy count Chain A； UniProt 20–229 Chain B； UniProt 20–229 Chain C； UniProt 20–229 Chain D； UniProt 20–229 Chain E； UniProt 20–229 Not recorded 09Q 1-(5-phenylpyridin-3-yl)-1,4-diazepane × 7 SO4 SULFATE ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；50mM Tris, 1.5M Ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K Resolution 2.32 Å R-free 0.244
2 Protein homooligomer Homooligomer Protein × 5 PDB declaration: pentameric（5） Consistent with protein copy count Chain F； UniProt 20–229 Chain G； UniProt 20–229 Chain H； UniProt 20–229 Chain I； UniProt 20–229 Chain J； UniProt 20–229 Not recorded 09Q 1-(5-phenylpyridin-3-yl)-1,4-diazepane × 7 SO4 SULFATE ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；50mM Tris, 1.5M Ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K Resolution 2.32 Å R-free 0.244

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB Difference from Current Entry 3U8L Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1I9B X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) Deposited 2001-03-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 21–229（209 aa）
Chain B 21–229（209 aa）
Chain C 21–229（209 aa）
Chain D 21–229（209 aa）
Chain E 21–229（209 aa）
Mutation：L1F Mutation：L1F Mutation：L1F Mutation：L1F Mutation：L1F CA CALCIUM ION × 8 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；PEG 4000, CALCIUM CHLORIDE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K
Resolution 2.70 Å R-free 0.297
1I9B X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) Deposited 2001-03-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 10 PDB declaration: decameric
Chain A 21–229（209 aa）
Chain B 21–229（209 aa）
Chain C 21–229（209 aa）
Chain D 21–229（209 aa）
Chain E 21–229（209 aa）
Mutation：L1F Mutation：L1F Mutation：L1F Mutation：L1F Mutation：L1F CA CALCIUM ION × 16 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 10 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；PEG 4000, CALCIUM CHLORIDE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K
Resolution 2.70 Å R-free 0.297
1UV6 X-ray structure of acetylcholine binding protein (AChBP) in complex with carbamylcholine Deposited 2004-01-15 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 20–229（210 aa）
Chain B 20–229（210 aa）
Chain C 20–229（210 aa）
Chain D 20–229（210 aa）
Chain E 20–229（210 aa）
Not recorded CCE 2-[(AMINOCARBONYL)OXY]-N,N,N-TRIMETHYLETHANAMINIUM × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；CAPS PH 10.5, AMMONIUM SULFATE
Resolution 2.50 Å R-free 0.265
1UV6 X-ray structure of acetylcholine binding protein (AChBP) in complex with carbamylcholine Deposited 2004-01-15 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain F 20–229（210 aa）
Chain G 20–229（210 aa）
Chain H 20–229（210 aa）
Chain I 20–229（210 aa）
Chain J 20–229（210 aa）
Not recorded CCE 2-[(AMINOCARBONYL)OXY]-N,N,N-TRIMETHYLETHANAMINIUM × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；CAPS PH 10.5, AMMONIUM SULFATE
Resolution 2.50 Å R-free 0.265
1UW6 X-ray structure of acetylcholine binding protein (AChBP) in complex with nicotine Deposited 2004-01-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 19–229（211 aa）
Chain B 19–229（211 aa）
Chain C 19–229（211 aa）
Chain D 19–229（211 aa）
Chain E 19–229（211 aa）
Not recorded NCT (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE × 5 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；TRIS PH 8.0, AMMONIUM SULFATE
Resolution 2.20 Å R-free 0.265
1UW6 X-ray structure of acetylcholine binding protein (AChBP) in complex with nicotine Deposited 2004-01-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain F 19–229（211 aa）
Chain G 19–229（211 aa）
Chain H 19–229（211 aa）
Chain I 19–229（211 aa）
Chain J 19–229（211 aa）
Not recorded NCT (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE × 5 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；TRIS PH 8.0, AMMONIUM SULFATE
Resolution 2.20 Å R-free 0.265
1UW6 X-ray structure of acetylcholine binding protein (AChBP) in complex with nicotine Deposited 2004-01-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain K 19–229（211 aa）
Chain L 19–229（211 aa）
Chain M 19–229（211 aa）
Chain N 19–229（211 aa）
Chain O 19–229（211 aa）
Not recorded NCT (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE × 5 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；TRIS PH 8.0, AMMONIUM SULFATE
Resolution 2.20 Å R-free 0.265
1UW6 X-ray structure of acetylcholine binding protein (AChBP) in complex with nicotine Deposited 2004-01-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain P 19–229（211 aa）
Chain Q 19–229（211 aa）
Chain R 19–229（211 aa）
Chain S 19–229（211 aa）
Chain T 19–229（211 aa）
Not recorded NCT (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE × 5 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；TRIS PH 8.0, AMMONIUM SULFATE
Resolution 2.20 Å R-free 0.265
1UX2 X-ray structure of acetylcholine binding protein (AChBP) Deposited 2004-02-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 18–229（212 aa）
Chain B 18–229（212 aa）
Chain C 18–229（212 aa）
Chain D 18–229（212 aa）
Chain E 18–229（212 aa）
Not recorded EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 SO4 SULFATE ION × 1 NH4 AMMONIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；TRIS PH 8.0, AMMONIUM SULFATE
Resolution 2.20 Å R-free 0.284
1UX2 X-ray structure of acetylcholine binding protein (AChBP) Deposited 2004-02-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain F 18–229（212 aa）
Chain G 18–229（212 aa）
Chain H 18–229（212 aa）
Chain I 18–229（212 aa）
Chain J 18–229（212 aa）
Not recorded EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 SO4 SULFATE ION × 1 NH4 AMMONIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；TRIS PH 8.0, AMMONIUM SULFATE
Resolution 2.20 Å R-free 0.284
1YI5 Crystal structure of the a-cobratoxin-AChBP complex Deposited 2005-01-11 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 10 PDB declaration: decameric
Chain A 20–229（210 aa）
Chain B 20–229（210 aa）
Chain C 20–229（210 aa）
Chain D 20–229（210 aa）
Chain E 20–229（210 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；0.9M NA-CITRATE, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 4.20 Å R-free 0.378
2ZJU Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein (Ls-AChBP) Complexed with Imidacloprid Deposited 2008-03-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 16–229（214 aa） Fragment：UNP residues 16-229
Chain B 16–229（214 aa） Fragment：UNP residues 16-229
Chain C 16–229（214 aa） Fragment：UNP residues 16-229
Chain D 16–229（214 aa） Fragment：UNP residues 16-229
Chain E 16–229（214 aa） Fragment：UNP residues 16-229
Mutation：S0A, L1A, N66D Mutation：S0A, L1A, N66D Mutation：S0A, L1A, N66D Mutation：S0A, L1A, N66D Mutation：S0A, L1A, N66D IM4 (2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；293 K；0.2M Na citrate, pH5.7, 15-22% PEG3350, 0.5mM imidacloprid, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
Resolution 2.58 Å R-free 0.277
2ZJV Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein (Ls-AChBP) Complexed with Clothianidin Deposited 2008-03-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 16–229（214 aa） Fragment：UNP residues 16-229
Chain B 16–229（214 aa） Fragment：UNP residues 16-229
Chain C 16–229（214 aa） Fragment：UNP residues 16-229
Chain D 16–229（214 aa） Fragment：UNP residues 16-229
Chain E 16–229（214 aa） Fragment：UNP residues 16-229
Mutation：S0A, L1A, N66D Mutation：S0A, L1A, N66D Mutation：S0A, L1A, N66D Mutation：S0A, L1A, N66D Mutation：S0A, L1A, N66D CT4 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；293 K；0.2M Na citrate, pH5.7, 15-22% PEG3350, 0.5mM clothianidin, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.70 Å R-free 0.270
3U8J Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3531 (1-(pyridin-3-yl)-1,4-diazepane) Deposited 2011-10-17 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 20–229（210 aa）
Chain B 20–229（210 aa）
Chain C 20–229（210 aa）
Chain D 20–229（210 aa）
Chain E 20–229（210 aa）
Not recorded 09O 1-(pyridin-3-yl)-1,4-diazepane × 5 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；293 K；50mM Tris, 1.9M Ammonium sulfate, 1% PEG 400, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.35 Å R-free 0.258
3U8J Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3531 (1-(pyridin-3-yl)-1,4-diazepane) Deposited 2011-10-17 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain F 20–229（210 aa）
Chain G 20–229（210 aa）
Chain H 20–229（210 aa）
Chain I 20–229（210 aa）
Chain J 20–229（210 aa）
Not recorded 09O 1-(pyridin-3-yl)-1,4-diazepane × 5 SO4 SULFATE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；293 K；50mM Tris, 1.9M Ammonium sulfate, 1% PEG 400, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.35 Å R-free 0.258
3U8K Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3573 (1-(5-ethoxypyridin-3-yl)-1,4-diazepane) Deposited 2011-10-17 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 20–229（210 aa）
Chain B 20–229（210 aa）
Chain C 20–229（210 aa）
Chain D 20–229（210 aa）
Chain E 20–229（210 aa）
Not recorded 09P 1-(5-ethoxypyridin-3-yl)-1,4-diazepane × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；293 K；50mM Tris, 2.0M Ammonium sulfate, 2% PEG 400, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.47 Å R-free 0.236
3U8K Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3573 (1-(5-ethoxypyridin-3-yl)-1,4-diazepane) Deposited 2011-10-17 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain F 20–229（210 aa）
Chain G 20–229（210 aa）
Chain H 20–229（210 aa）
Chain I 20–229（210 aa）
Chain J 20–229（210 aa）
Not recorded 09P 1-(5-ethoxypyridin-3-yl)-1,4-diazepane × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；293 K；50mM Tris, 2.0M Ammonium sulfate, 2% PEG 400, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.47 Å R-free 0.236
3U8K Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3573 (1-(5-ethoxypyridin-3-yl)-1,4-diazepane) Deposited 2011-10-17 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain K 20–229（210 aa）
Chain L 20–229（210 aa）
Chain M 20–229（210 aa）
Chain N 20–229（210 aa）
Chain O 20–229（210 aa）
Not recorded 09P 1-(5-ethoxypyridin-3-yl)-1,4-diazepane × 5 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；293 K；50mM Tris, 2.0M Ammonium sulfate, 2% PEG 400, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.47 Å R-free 0.236
3U8K Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3573 (1-(5-ethoxypyridin-3-yl)-1,4-diazepane) Deposited 2011-10-17 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain P 20–229（210 aa）
Chain Q 20–229（210 aa）
Chain R 20–229（210 aa）
Chain S 20–229（210 aa）
Chain T 20–229（210 aa）
Not recorded 09P 1-(5-ethoxypyridin-3-yl)-1,4-diazepane × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；293 K；50mM Tris, 2.0M Ammonium sulfate, 2% PEG 400, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.47 Å R-free 0.236
3U8M Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3920 (1-(6-bromopyridin-3-yl)-1,4-diazepane) Deposited 2011-10-17 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 20–229（210 aa）
Chain B 20–229（210 aa）
Chain C 20–229（210 aa）
Chain D 20–229（210 aa）
Chain E 20–229（210 aa）
Not recorded 09R 1-(6-bromopyridin-3-yl)-1,4-diazepane × 5 SO4 SULFATE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；293 K；50mM Tris, 1.9M Ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.70 Å R-free 0.275
3U8M Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3920 (1-(6-bromopyridin-3-yl)-1,4-diazepane) Deposited 2011-10-17 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain F 20–229（210 aa）
Chain G 20–229（210 aa）
Chain H 20–229（210 aa）
Chain I 20–229（210 aa）
Chain J 20–229（210 aa）
Not recorded 09R 1-(6-bromopyridin-3-yl)-1,4-diazepane × 5 SO4 SULFATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；293 K；50mM Tris, 1.9M Ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.70 Å R-free 0.275
3U8M Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3920 (1-(6-bromopyridin-3-yl)-1,4-diazepane) Deposited 2011-10-17 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain K 20–229（210 aa）
Chain L 20–229（210 aa）
Chain M 20–229（210 aa）
Chain N 20–229（210 aa）
Chain O 20–229（210 aa）
Not recorded 09R 1-(6-bromopyridin-3-yl)-1,4-diazepane × 5 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；293 K；50mM Tris, 1.9M Ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.70 Å R-free 0.275
3U8M Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3920 (1-(6-bromopyridin-3-yl)-1,4-diazepane) Deposited 2011-10-17 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain P 20–229（210 aa）
Chain Q 20–229（210 aa）
Chain R 20–229（210 aa）
Chain S 20–229（210 aa）
Chain T 20–229（210 aa）
Not recorded 09R 1-(6-bromopyridin-3-yl)-1,4-diazepane × 5 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；293 K；50mM Tris, 1.9M Ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.70 Å R-free 0.275
3U8N Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3950 (1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane) Deposited 2011-10-17 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 20–229（210 aa）
Chain B 20–229（210 aa）
Chain C 20–229（210 aa）
Chain D 20–229（210 aa）
Chain E 20–229（210 aa）
Not recorded 09S 1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane × 5 SO4 SULFATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；293 K；50mM Tris, 1.9 M Ammonium sulfate, 3% PEG 400, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.35 Å R-free 0.230
3U8N Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3950 (1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane) Deposited 2011-10-17 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain F 20–229（210 aa）
Chain G 20–229（210 aa）
Chain H 20–229（210 aa）
Chain I 20–229（210 aa）
Chain J 20–229（210 aa）
Not recorded 09S 1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane × 5 SO4 SULFATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；293 K；50mM Tris, 1.9 M Ammonium sulfate, 3% PEG 400, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.35 Å R-free 0.230
3U8N Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3950 (1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane) Deposited 2011-10-17 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain K 20–229（210 aa）
Chain L 20–229（210 aa）
Chain M 20–229（210 aa）
Chain N 20–229（210 aa）
Chain O 20–229（210 aa）
Not recorded 09S 1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane × 5 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；293 K；50mM Tris, 1.9 M Ammonium sulfate, 3% PEG 400, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.35 Å R-free 0.230
3U8N Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3950 (1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane) Deposited 2011-10-17 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain P 20–229（210 aa）
Chain Q 20–229（210 aa）
Chain R 20–229（210 aa）
Chain S 20–229（210 aa）
Chain T 20–229（210 aa）
Not recorded 09S 1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane × 5 SO4 SULFATE ION × 3 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；293 K；50mM Tris, 1.9 M Ammonium sulfate, 3% PEG 400, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.35 Å R-free 0.230
3WIP Crystal structure of acetylcholine bound to Ls-AChBP Deposited 2013-09-24 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 1–229（229 aa）
Chain B 1–229（229 aa）
Chain C 1–229（229 aa）
Chain D 1–229（229 aa）
Chain E 1–229（229 aa）
Not recorded ACH ACETYLCHOLINE × 5 1PE PENTAETHYLENE GLYCOL × 8 SO4 SULFATE ION × 4 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.1M TRIS, 1.025M (NH4)2SO4, 0.1M NaCl, 1.5% PEG 400, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.60 Å R-free 0.239
3WIP Crystal structure of acetylcholine bound to Ls-AChBP Deposited 2013-09-24 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain F 1–229（229 aa）
Chain G 1–229（229 aa）
Chain H 1–229（229 aa）
Chain I 1–229（229 aa）
Chain J 1–229（229 aa）
Not recorded ACH ACETYLCHOLINE × 5 1PE PENTAETHYLENE GLYCOL × 4 SO4 SULFATE ION × 3 ACT ACETATE ION × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.1M TRIS, 1.025M (NH4)2SO4, 0.1M NaCl, 1.5% PEG 400, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.60 Å R-free 0.239
3WTH Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein Q55R Mutant Complexed with Imidacloprid Deposited 2014-04-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 21–229（209 aa） Fragment：UNP residues 21-229
Chain B 21–229（209 aa） Fragment：UNP residues 21-229
Chain C 21–229（209 aa） Fragment：UNP residues 21-229
Chain D 21–229（209 aa） Fragment：UNP residues 21-229
Chain E 21–229（209 aa） Fragment：UNP residues 21-229
Mutation：Q55R Mutation：Q55R Mutation：Q55R Mutation：Q55R Mutation：Q55R IM4 (2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.7；293 K；0.2M Na citrate pH 5.7, 15-22% PEG3350, 0.5mM imidacloprid, VAPOR DIFFUSION, temperature 293K
Resolution 2.54 Å R-free 0.271
3WTI Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein Q55R Mutant Complexed with Clothianidin Deposited 2014-04-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 21–229（209 aa） Fragment：UNP residues 21-229
Chain B 21–229（209 aa） Fragment：UNP residues 21-229
Chain C 21–229（209 aa） Fragment：UNP residues 21-229
Chain D 21–229（209 aa） Fragment：UNP residues 21-229
Chain E 21–229（209 aa） Fragment：UNP residues 21-229
Mutation：Q55R Mutation：Q55R Mutation：Q55R Mutation：Q55R Mutation：Q55R CT4 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.7；293 K；0.2M Na citrate pH 5.7, 15-22% PEG3350, 0.5mM clothianidin, VAPOR DIFFUSION, temperature 293K
Resolution 2.68 Å R-free 0.294
3WTJ Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Thiacloprid Deposited 2014-04-11 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 21–229（209 aa）
Chain B 21–229（209 aa）
Chain C 21–229（209 aa）
Chain D 21–229（209 aa）
Chain E 21–229（209 aa）
Not recorded TH4 {(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.7；293 K；0.2M Na citrate pH 5.7, 15-22% PEG3350, 0.5mM thiacloprid, VAPOR DIFFUSION, temperature 293K
Resolution 2.24 Å R-free 0.266
3WTK Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein Q55R Mutant Complexed with Thiacloprid Deposited 2014-04-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 21–229（209 aa） Fragment：UNP residues 21-229
Chain B 21–229（209 aa） Fragment：UNP residues 21-229
Chain C 21–229（209 aa） Fragment：UNP residues 21-229
Chain D 21–229（209 aa） Fragment：UNP residues 21-229
Chain E 21–229（209 aa） Fragment：UNP residues 21-229
Mutation：Q55R Mutation：Q55R Mutation：Q55R Mutation：Q55R Mutation：Q55R TH4 {(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.7；293 K；0.2M Na citrate pH 5.7, 15-22% PEG3350, 0.5mM thiacloprid, VAPOR DIFFUSION, temperature 293K
Resolution 2.69 Å R-free 0.274
3WTL Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Nitromethylene Analogue of Imidacloprid Deposited 2014-04-11 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 21–229（209 aa） Fragment：UNP residues 21-229
Chain B 21–229（209 aa） Fragment：UNP residues 21-229
Chain C 21–229（209 aa） Fragment：UNP residues 21-229
Chain D 21–229（209 aa） Fragment：UNP residues 21-229
Chain E 21–229（209 aa） Fragment：UNP residues 21-229
Not recorded N1Y 2-chloro-5-{[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl}pyridine × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.7；293 K；0.2M Na citrate pH 5.7, 15-22% PEG3350, 0.5mM Nitromethylene Analogue of Imidacloprid, VAPOR DIFFUSION, temperature 293K
Resolution 2.30 Å R-free 0.265
3WTM Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein Q55R Mutant Complexed with Nitromethylene Analogue of Imidacloprid Deposited 2014-04-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 21–229（209 aa） Fragment：UNP residues 21-229
Chain B 21–229（209 aa） Fragment：UNP residues 21-229
Chain C 21–229（209 aa） Fragment：UNP residues 21-229
Chain D 21–229（209 aa） Fragment：UNP residues 21-229
Chain E 21–229（209 aa） Fragment：UNP residues 21-229
Mutation：Q55R Mutation：Q55R Mutation：Q55R Mutation：Q55R Mutation：Q55R N1Y 2-chloro-5-{[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl}pyridine × 5 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.7；293 K；0.2M Na citrate pH 5.7, 15-22% PEG3350, 0.5mM Nitromethylene Analogue of Imidacloprid, VAPOR DIFFUSION, temperature 293K
Resolution 2.48 Å R-free 0.262
3WTN Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Desnitro-imidacloprid Deposited 2014-04-11 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 21–229（209 aa） Fragment：UNP residues 21-229
Chain B 21–229（209 aa） Fragment：UNP residues 21-229
Chain C 21–229（209 aa） Fragment：UNP residues 21-229
Chain D 21–229（209 aa） Fragment：UNP residues 21-229
Chain E 21–229（209 aa） Fragment：UNP residues 21-229
Not recorded N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 5 CD CADMIUM ION × 35 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；1.5M Na acetate, 0.05M CdSO4, 0.1M HEPES-Na (pH 7.5), 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K
Resolution 2.09 Å R-free 0.262
3WTN Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Desnitro-imidacloprid Deposited 2014-04-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 10 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain H 21–229（209 aa） Fragment：UNP residues 21-229
Not recorded N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 1 CD CADMIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；1.5M Na acetate, 0.05M CdSO4, 0.1M HEPES-Na (pH 7.5), 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K
Resolution 2.09 Å R-free 0.262
3WTN Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Desnitro-imidacloprid Deposited 2014-04-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 11 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain I 21–229（209 aa） Fragment：UNP residues 21-229
Not recorded N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 1 CD CADMIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；1.5M Na acetate, 0.05M CdSO4, 0.1M HEPES-Na (pH 7.5), 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K
Resolution 2.09 Å R-free 0.262
3WTN Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Desnitro-imidacloprid Deposited 2014-04-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 12 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain J 21–229（209 aa） Fragment：UNP residues 21-229
Not recorded N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 1 CD CADMIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；1.5M Na acetate, 0.05M CdSO4, 0.1M HEPES-Na (pH 7.5), 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K
Resolution 2.09 Å R-free 0.262
3WTN Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Desnitro-imidacloprid Deposited 2014-04-11 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain F 21–229（209 aa） Fragment：UNP residues 21-229
Chain G 21–229（209 aa） Fragment：UNP residues 21-229
Chain H 21–229（209 aa） Fragment：UNP residues 21-229
Chain I 21–229（209 aa） Fragment：UNP residues 21-229
Chain J 21–229（209 aa） Fragment：UNP residues 21-229
Not recorded N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 5 CD CADMIUM ION × 19 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；1.5M Na acetate, 0.05M CdSO4, 0.1M HEPES-Na (pH 7.5), 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K
Resolution 2.09 Å R-free 0.262
3WTN Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Desnitro-imidacloprid Deposited 2014-04-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 21–229（209 aa） Fragment：UNP residues 21-229
Not recorded N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 1 CD CADMIUM ION × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；1.5M Na acetate, 0.05M CdSO4, 0.1M HEPES-Na (pH 7.5), 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K
Resolution 2.09 Å R-free 0.262
3WTN Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Desnitro-imidacloprid Deposited 2014-04-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 21–229（209 aa） Fragment：UNP residues 21-229
Not recorded N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 1 CD CADMIUM ION × 7 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；1.5M Na acetate, 0.05M CdSO4, 0.1M HEPES-Na (pH 7.5), 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K
Resolution 2.09 Å R-free 0.262
3WTN Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Desnitro-imidacloprid Deposited 2014-04-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 21–229（209 aa） Fragment：UNP residues 21-229
Not recorded N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 1 CD CADMIUM ION × 7 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；1.5M Na acetate, 0.05M CdSO4, 0.1M HEPES-Na (pH 7.5), 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K
Resolution 2.09 Å R-free 0.262
3WTN Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Desnitro-imidacloprid Deposited 2014-04-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 21–229（209 aa） Fragment：UNP residues 21-229
Not recorded N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 1 CD CADMIUM ION × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；1.5M Na acetate, 0.05M CdSO4, 0.1M HEPES-Na (pH 7.5), 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K
Resolution 2.09 Å R-free 0.262
3WTN Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Desnitro-imidacloprid Deposited 2014-04-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 7 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 21–229（209 aa） Fragment：UNP residues 21-229
Not recorded N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 1 CD CADMIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；1.5M Na acetate, 0.05M CdSO4, 0.1M HEPES-Na (pH 7.5), 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K
Resolution 2.09 Å R-free 0.262
3WTN Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Desnitro-imidacloprid Deposited 2014-04-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 8 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 21–229（209 aa） Fragment：UNP residues 21-229
Not recorded N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 1 CD CADMIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；1.5M Na acetate, 0.05M CdSO4, 0.1M HEPES-Na (pH 7.5), 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K
Resolution 2.09 Å R-free 0.262
3WTN Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Desnitro-imidacloprid Deposited 2014-04-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 9 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain G 21–229（209 aa） Fragment：UNP residues 21-229
Not recorded N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 1 CD CADMIUM ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；1.5M Na acetate, 0.05M CdSO4, 0.1M HEPES-Na (pH 7.5), 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K
Resolution 2.09 Å R-free 0.262
3WTO Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein Q55R Mutant Complexed with Desnitro-imidacloprid Deposited 2014-04-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 21–229（209 aa） Fragment：UNP residues 21-229
Chain B 21–229（209 aa） Fragment：UNP residues 21-229
Chain C 21–229（209 aa） Fragment：UNP residues 21-229
Chain D 21–229（209 aa） Fragment：UNP residues 21-229
Chain E 21–229（209 aa） Fragment：UNP residues 21-229
Mutation：Q55R Mutation：Q55R Mutation：Q55R Mutation：Q55R Mutation：Q55R N2Y (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；293 K；24-27 % PEG4000, 0.1-0.3M LiSO4, 0.1M Tris-HCl, pH 8.5, 0.5mM Desnitro-imidacloprid, VAPOR DIFFUSION, temperature 293K
Resolution 2.25 Å R-free 0.262
3ZDG Crystal Structure of Ls-AChBP complexed with carbamoylcholine analogue 3-(dimethylamino)butyl dimethylcarbamate (DMABC) Deposited 2012-11-26 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain K 20–229（210 aa）
Chain L 20–229（210 aa）
Chain M 20–229（210 aa）
Chain N 20–229（210 aa）
Chain O 20–229（210 aa）
Not recorded XRX 3-(dimethylamino)butyl dimethylcarbamate × 5 SO4 SULFATE ION × 6 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；0.1 M TRIS (AT PH 8.5 ), 2.0 M AMMONIUM SULPHATE
Resolution 2.48 Å R-free 0.221
3ZDG Crystal Structure of Ls-AChBP complexed with carbamoylcholine analogue 3-(dimethylamino)butyl dimethylcarbamate (DMABC) Deposited 2012-11-26 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 20–229（210 aa）
Chain B 20–229（210 aa）
Chain C 20–229（210 aa）
Chain D 20–229（210 aa）
Chain E 20–229（210 aa）
Not recorded XRX 3-(dimethylamino)butyl dimethylcarbamate × 5 SO4 SULFATE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；0.1 M TRIS (AT PH 8.5 ), 2.0 M AMMONIUM SULPHATE
Resolution 2.48 Å R-free 0.221
3ZDG Crystal Structure of Ls-AChBP complexed with carbamoylcholine analogue 3-(dimethylamino)butyl dimethylcarbamate (DMABC) Deposited 2012-11-26 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain F 20–229（210 aa）
Chain G 20–229（210 aa）
Chain H 20–229（210 aa）
Chain I 20–229（210 aa）
Chain J 20–229（210 aa）
Not recorded XRX 3-(dimethylamino)butyl dimethylcarbamate × 5 SO4 SULFATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；0.1 M TRIS (AT PH 8.5 ), 2.0 M AMMONIUM SULPHATE
Resolution 2.48 Å R-free 0.221
3ZDG Crystal Structure of Ls-AChBP complexed with carbamoylcholine analogue 3-(dimethylamino)butyl dimethylcarbamate (DMABC) Deposited 2012-11-26 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain P 20–229（210 aa）
Chain Q 20–229（210 aa）
Chain R 20–229（210 aa）
Chain S 20–229（210 aa）
Chain T 20–229（210 aa）
Not recorded XRX 3-(dimethylamino)butyl dimethylcarbamate × 5 SO4 SULFATE ION × 3 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 1PE PENTAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；0.1 M TRIS (AT PH 8.5 ), 2.0 M AMMONIUM SULPHATE
Resolution 2.48 Å R-free 0.221
3ZDH Crystal structure of Ls-AChBP complexed with carbamoylcholine analogue N,N-dimethyl-4-(1-methyl-1H-imidazol-2-yloxy)butan-2-amine Deposited 2012-11-26 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 20–229（210 aa）
Chain B 20–229（210 aa）
Chain C 20–229（210 aa）
Chain D 20–229（210 aa）
Chain E 20–229（210 aa）
Not recorded XRS (2R)-N,N-dimethyl-4-(1-methylimidazol-2-yl)oxy-butan-2-amine × 5 SO4 SULFATE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；0.1 M TRIS (PH 8.5), 2.0 M AMMONIUM SULPHATE, 2 % PEG 400
Resolution 2.19 Å R-free 0.245
3ZDH Crystal structure of Ls-AChBP complexed with carbamoylcholine analogue N,N-dimethyl-4-(1-methyl-1H-imidazol-2-yloxy)butan-2-amine Deposited 2012-11-26 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain F 20–229（210 aa）
Chain G 20–229（210 aa）
Chain H 20–229（210 aa）
Chain I 20–229（210 aa）
Chain J 20–229（210 aa）
Not recorded XRS (2R)-N,N-dimethyl-4-(1-methylimidazol-2-yl)oxy-butan-2-amine × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；0.1 M TRIS (PH 8.5), 2.0 M AMMONIUM SULPHATE, 2 % PEG 400
Resolution 2.19 Å R-free 0.245
4ALX Crystal Structure of Ls-AChBP complexed with the potent nAChR antagonist DHbE Deposited 2012-03-06 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain F 1–229（229 aa）
Chain G 1–229（229 aa）
Chain H 1–229（229 aa）
Chain I 1–229（229 aa）
Chain J 1–229（229 aa）
Not recorded IZN (4bS,6S)-6-methoxy-1,4,6,7,9,10,12,13-octahydro-3H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-one × 5 1PE PENTAETHYLENE GLYCOL × 4 MG MAGNESIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；0.1 M HEPES PH 7.5, 25% V/V PEG 400, AND 0.2 M MGCL2.
Resolution 2.30 Å R-free 0.250
4ALX Crystal Structure of Ls-AChBP complexed with the potent nAChR antagonist DHbE Deposited 2012-03-06 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 1–229（229 aa）
Chain B 1–229（229 aa）
Chain C 1–229（229 aa）
Chain D 1–229（229 aa）
Chain E 1–229（229 aa）
Not recorded IZN (4bS,6S)-6-methoxy-1,4,6,7,9,10,12,13-octahydro-3H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-one × 5 1PE PENTAETHYLENE GLYCOL × 2 MG MAGNESIUM ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；0.1 M HEPES PH 7.5, 25% V/V PEG 400, AND 0.2 M MGCL2.
Resolution 2.30 Å R-free 0.250
4NZB NS9283 bound to Ls-AChBP Deposited 2013-12-11 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain F 20–229（210 aa）
Chain G 20–229（210 aa）
Chain H 20–229（210 aa）
Chain I 20–229（210 aa）
Chain J 20–229（210 aa）
Not recorded 1PE PENTAETHYLENE GLYCOL × 3 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 SO4 SULFATE ION × 7 ACT ACETATE ION × 8 NSE 3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.1mM Tris, 0.95M (NH3)2SO4, 4% PEG 400, 0.1M NaCl, 2.5% DMSO, pH 8.0, vapor diffusion, sitting drop, temperature 293K
Resolution 2.68 Å R-free 0.240
4NZB NS9283 bound to Ls-AChBP Deposited 2013-12-11 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 20–229（210 aa）
Chain B 20–229（210 aa）
Chain C 20–229（210 aa）
Chain D 20–229（210 aa）
Chain E 20–229（210 aa）
Not recorded 1PE PENTAETHYLENE GLYCOL × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 SO4 SULFATE ION × 12 ACT ACETATE ION × 3 NSE 3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile × 3 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.1mM Tris, 0.95M (NH3)2SO4, 4% PEG 400, 0.1M NaCl, 2.5% DMSO, pH 8.0, vapor diffusion, sitting drop, temperature 293K
Resolution 2.68 Å R-free 0.240
4NZB NS9283 bound to Ls-AChBP Deposited 2013-12-11 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain K 20–229（210 aa）
Chain L 20–229（210 aa）
Chain M 20–229（210 aa）
Chain N 20–229（210 aa）
Chain O 20–229（210 aa）
Not recorded SO4 SULFATE ION × 1 ACT ACETATE ION × 1 NSE 3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile × 2 CL CHLORIDE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.1mM Tris, 0.95M (NH3)2SO4, 4% PEG 400, 0.1M NaCl, 2.5% DMSO, pH 8.0, vapor diffusion, sitting drop, temperature 293K
Resolution 2.68 Å R-free 0.240
4QAA X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 6-(4-Methoxyphenyl)-N4-octylpyrimidine-2,4-diamine Deposited 2014-05-03 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 20–228（209 aa）
Chain B 20–228（209 aa）
Chain C 20–228（209 aa）
Chain D 20–228（209 aa）
Chain E 20–228（209 aa）
Not recorded KK1 6-(4-methoxyphenyl)-N~4~-octylpyrimidine-2,4-diamine × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 PO4 PHOSPHATE ION × 12 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 290K
Resolution 2.70 Å R-free 0.262
4QAA X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 6-(4-Methoxyphenyl)-N4-octylpyrimidine-2,4-diamine Deposited 2014-05-03 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain F 20–228（209 aa）
Chain G 20–228（209 aa）
Chain H 20–228（209 aa）
Chain I 20–228（209 aa）
Chain J 20–228（209 aa）
Not recorded KK1 6-(4-methoxyphenyl)-N~4~-octylpyrimidine-2,4-diamine × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 PO4 PHOSPHATE ION × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 290K
Resolution 2.70 Å R-free 0.262
4QAB X-RAY STRUCTURE of ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 4-(MORPHOLIN-4-YL)-6-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE Deposited 2014-05-03 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 20–228（209 aa）
Chain B 20–228（209 aa）
Chain C 20–228（209 aa）
Chain D 20–228（209 aa）
Chain E 20–228（209 aa）
Not recorded KK2 4-(morpholin-4-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 PO4 PHOSPHATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 290K
Resolution 2.98 Å R-free 0.233
4QAB X-RAY STRUCTURE of ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 4-(MORPHOLIN-4-YL)-6-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE Deposited 2014-05-03 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain F 20–228（209 aa）
Chain G 20–228（209 aa）
Chain H 20–228（209 aa）
Chain I 20–228（209 aa）
Chain J 20–228（209 aa）
Not recorded KK2 4-(morpholin-4-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 PO4 PHOSPHATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 290K
Resolution 2.98 Å R-free 0.233
4QAC X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 4-(4-methylpiperidin-1-yl)-6-(4-(trifluoromethyl)phenyl)pyrimidin-2-amine Deposited 2014-05-03 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 20–228（209 aa）
Chain B 20–228（209 aa）
Chain C 20–228（209 aa）
Chain D 20–228（209 aa）
Chain E 20–228（209 aa）
Not recorded PO4 PHOSPHATE ION × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 KK3 4-(4-methylpiperidin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 290K
Resolution 2.10 Å R-free 0.247
4QAC X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 4-(4-methylpiperidin-1-yl)-6-(4-(trifluoromethyl)phenyl)pyrimidin-2-amine Deposited 2014-05-03 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain F 20–228（209 aa）
Chain G 20–228（209 aa）
Chain H 20–228（209 aa）
Chain I 20–228（209 aa）
Chain J 20–228（209 aa）
Not recorded PO4 PHOSPHATE ION × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 KK3 4-(4-methylpiperidin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 290K
Resolution 2.10 Å R-free 0.247
4UM1 Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3573 Deposited 2014-05-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 1–229（229 aa）
Chain B 1–229（229 aa）
Chain C 1–229（229 aa）
Chain D 1–229（229 aa）
Chain E 1–229（229 aa）
Mutation：YES Mutation：YES Mutation：YES Mutation：YES Mutation：YES 09P 1-(5-ethoxypyridin-3-yl)-1,4-diazepane × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；0.1 M TRIS BASE (PH 8.0), 1-3% V/V POLYETHYLENE GLYCOL (PEG) 400 AND 1.8-2.3 M (NH4)2SO4
Resolution 2.83 Å R-free 0.231
4UM3 Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3920 Deposited 2014-05-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain P 1–229（229 aa）
Chain Q 1–229（229 aa）
Chain R 1–229（229 aa）
Chain S 1–229（229 aa）
Chain T 1–229（229 aa）
Mutation：YES Mutation：YES Mutation：YES Mutation：YES Mutation：YES 09R 1-(6-bromopyridin-3-yl)-1,4-diazepane × 5 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；0.1 M TRIS BASE (PH 8.0), 1-3% V/V POLYETHYLENE GLYCOL (PEG) 400 AND 1.8-2.3 M (NH4)2SO4
Resolution 2.70 Å R-free 0.244
4UM3 Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3920 Deposited 2014-05-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain U 1–229（229 aa）
Chain V 1–229（229 aa）
Chain W 1–229（229 aa）
Chain X 1–229（229 aa）
Chain Y 1–229（229 aa）
Mutation：YES Mutation：YES Mutation：YES Mutation：YES Mutation：YES 09R 1-(6-bromopyridin-3-yl)-1,4-diazepane × 5 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；0.1 M TRIS BASE (PH 8.0), 1-3% V/V POLYETHYLENE GLYCOL (PEG) 400 AND 1.8-2.3 M (NH4)2SO4
Resolution 2.70 Å R-free 0.244
4UM3 Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3920 Deposited 2014-05-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain K 1–229（229 aa）
Chain L 1–229（229 aa）
Chain M 1–229（229 aa）
Chain N 1–229（229 aa）
Chain O 1–229（229 aa）
Mutation：YES Mutation：YES Mutation：YES Mutation：YES Mutation：YES 09R 1-(6-bromopyridin-3-yl)-1,4-diazepane × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；0.1 M TRIS BASE (PH 8.0), 1-3% V/V POLYETHYLENE GLYCOL (PEG) 400 AND 1.8-2.3 M (NH4)2SO4
Resolution 2.70 Å R-free 0.244
4UM3 Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3920 Deposited 2014-05-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain j 1–229（229 aa）
Chain k 1–229（229 aa）
Chain l 1–229（229 aa）
Chain m 1–229（229 aa）
Chain n 1–229（229 aa）
Mutation：YES Mutation：YES Mutation：YES Mutation：YES Mutation：YES 09R 1-(6-bromopyridin-3-yl)-1,4-diazepane × 5 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；0.1 M TRIS BASE (PH 8.0), 1-3% V/V POLYETHYLENE GLYCOL (PEG) 400 AND 1.8-2.3 M (NH4)2SO4
Resolution 2.70 Å R-free 0.244
4UM3 Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3920 Deposited 2014-05-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain e 1–229（229 aa）
Chain f 1–229（229 aa）
Chain g 1–229（229 aa）
Chain h 1–229（229 aa）
Chain i 1–229（229 aa）
Mutation：YES Mutation：YES Mutation：YES Mutation：YES Mutation：YES 09R 1-(6-bromopyridin-3-yl)-1,4-diazepane × 5 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；0.1 M TRIS BASE (PH 8.0), 1-3% V/V POLYETHYLENE GLYCOL (PEG) 400 AND 1.8-2.3 M (NH4)2SO4
Resolution 2.70 Å R-free 0.244
4UM3 Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3920 Deposited 2014-05-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain Z 1–229（229 aa）
Chain a 1–229（229 aa）
Chain b 1–229（229 aa）
Chain c 1–229（229 aa）
Chain d 1–229（229 aa）
Mutation：YES Mutation：YES Mutation：YES Mutation：YES Mutation：YES 09R 1-(6-bromopyridin-3-yl)-1,4-diazepane × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；0.1 M TRIS BASE (PH 8.0), 1-3% V/V POLYETHYLENE GLYCOL (PEG) 400 AND 1.8-2.3 M (NH4)2SO4
Resolution 2.70 Å R-free 0.244
4UM3 Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3920 Deposited 2014-05-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 7 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 1–229（229 aa）
Chain B 1–229（229 aa）
Chain C 1–229（229 aa）
Chain D 1–229（229 aa）
Chain E 1–229（229 aa）
Mutation：YES Mutation：YES Mutation：YES Mutation：YES Mutation：YES 09R 1-(6-bromopyridin-3-yl)-1,4-diazepane × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；0.1 M TRIS BASE (PH 8.0), 1-3% V/V POLYETHYLENE GLYCOL (PEG) 400 AND 1.8-2.3 M (NH4)2SO4
Resolution 2.70 Å R-free 0.244
4UM3 Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3920 Deposited 2014-05-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 8 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain F 1–229（229 aa）
Chain G 1–229（229 aa）
Chain H 1–229（229 aa）
Chain I 1–229（229 aa）
Chain J 1–229（229 aa）
Mutation：YES Mutation：YES Mutation：YES Mutation：YES Mutation：YES 09R 1-(6-bromopyridin-3-yl)-1,4-diazepane × 5 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8；0.1 M TRIS BASE (PH 8.0), 1-3% V/V POLYETHYLENE GLYCOL (PEG) 400 AND 1.8-2.3 M (NH4)2SO4
Resolution 2.70 Å R-free 0.244
4ZJT X-ray crystal structure of Lymnaea stagnalis acetylcholine binding protein (LsAChBP) in complex with 2-Thiophenylmethylene Anabaseine (2TAB) Deposited 2015-04-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 20–229（210 aa） Fragment：UNP residues 20-229
Chain B 20–229（210 aa） Fragment：UNP residues 20-229
Chain C 20–229（210 aa） Fragment：UNP residues 20-229
Chain D 20–229（210 aa） Fragment：UNP residues 20-229
Chain E 20–229（210 aa） Fragment：UNP residues 20-229
Not recorded PO4 PHOSPHATE ION × 5 4P6 (3E)-3-(thiophen-2-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.26 M ammonium phosphate, 35% glycerol
Resolution 1.85 Å R-free 0.225
4ZJT X-ray crystal structure of Lymnaea stagnalis acetylcholine binding protein (LsAChBP) in complex with 2-Thiophenylmethylene Anabaseine (2TAB) Deposited 2015-04-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain F 20–229（210 aa） Fragment：UNP residues 20-229
Chain G 20–229（210 aa） Fragment：UNP residues 20-229
Chain H 20–229（210 aa） Fragment：UNP residues 20-229
Chain I 20–229（210 aa） Fragment：UNP residues 20-229
Chain J 20–229（210 aa） Fragment：UNP residues 20-229
Not recorded PO4 PHOSPHATE ION × 5 4P6 (3E)-3-(thiophen-2-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.26 M ammonium phosphate, 35% glycerol
Resolution 1.85 Å R-free 0.225
4ZK1 Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein (LsAChBP) in Complex with 3-Pyrrolylmethylene Anabaseine Deposited 2015-04-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 20–229（210 aa） Fragment：UNP residues 20-229
Chain B 20–229（210 aa） Fragment：UNP residues 20-229
Chain C 20–229（210 aa） Fragment：UNP residues 20-229
Chain D 20–229（210 aa） Fragment：UNP residues 20-229
Chain E 20–229（210 aa） Fragment：UNP residues 20-229
Not recorded PO4 PHOSPHATE ION × 5 4P7 (3E)-3-(1H-pyrrol-3-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.26 M ammonium phosphate, 35% glycerol
Resolution 1.75 Å R-free 0.216
4ZK1 Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein (LsAChBP) in Complex with 3-Pyrrolylmethylene Anabaseine Deposited 2015-04-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain F 20–229（210 aa） Fragment：UNP residues 20-229
Chain G 20–229（210 aa） Fragment：UNP residues 20-229
Chain H 20–229（210 aa） Fragment：UNP residues 20-229
Chain I 20–229（210 aa） Fragment：UNP residues 20-229
Chain J 20–229（210 aa） Fragment：UNP residues 20-229
Not recorded PO4 PHOSPHATE ION × 5 4P7 (3E)-3-(1H-pyrrol-3-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.26 M ammonium phosphate, 35% glycerol
Resolution 1.75 Å R-free 0.216
4ZR6 Lymnaea Stagnalis Acetylcholine Binding Protein in Complex with 3-[(4E)-4-[(3-methylimidazol-4-yl)methylene]-2,3-dihydropyrrol-5-yl]pyridine Deposited 2015-05-11 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 20–229（210 aa） Fragment：UNP residues 20-229
Chain B 20–229（210 aa） Fragment：UNP residues 20-229
Chain C 20–229（210 aa） Fragment：UNP residues 20-229
Chain D 20–229（210 aa） Fragment：UNP residues 20-229
Chain E 20–229（210 aa） Fragment：UNP residues 20-229
Not recorded 4QW 3-{(4E)-4-[(1-methyl-1H-imidazol-5-yl)methylidene]-3,4-dihydro-2H-pyrrol-5-yl}pyridine × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；291.15 K；0.02 M calcium chloride dihydrate, 0.1 M sodium acetate trihydrate, pH 4.6, 30% v/v MPD
Resolution 2.60 Å R-free 0.266
4ZRU X-ray crystal structure of Lymnaea stagnalis acetylcholine binding protein (Ls-AChBP) in complex with 3-[2-[(2S)-pyrrolidin-2-yl]ethynyl]pyridine (TI-5180) Deposited 2015-05-12 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 20–229（210 aa） Fragment：UNP residues 20-229
Chain B 20–229（210 aa） Fragment：UNP residues 20-229
Chain C 20–229（210 aa） Fragment：UNP residues 20-229
Chain D 20–229（210 aa） Fragment：UNP residues 20-229
Chain E 20–229（210 aa） Fragment：UNP residues 20-229
Not recorded PO4 PHOSPHATE ION × 5 TI9 3-[(2S)-pyrrolidin-2-ylethynyl]pyridine × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.26 M ammonium phosphate, 35% glycerol
Resolution 1.90 Å R-free 0.204
4ZRU X-ray crystal structure of Lymnaea stagnalis acetylcholine binding protein (Ls-AChBP) in complex with 3-[2-[(2S)-pyrrolidin-2-yl]ethynyl]pyridine (TI-5180) Deposited 2015-05-12 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain F 20–229（210 aa） Fragment：UNP residues 20-229
Chain G 20–229（210 aa） Fragment：UNP residues 20-229
Chain H 20–229（210 aa） Fragment：UNP residues 20-229
Chain I 20–229（210 aa） Fragment：UNP residues 20-229
Chain J 20–229（210 aa） Fragment：UNP residues 20-229
Not recorded PO4 PHOSPHATE ION × 5 TI9 3-[(2S)-pyrrolidin-2-ylethynyl]pyridine × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.26 M ammonium phosphate, 35% glycerol
Resolution 1.90 Å R-free 0.204
5BP0 X-ray crystal structure of Lymnaea stagnalis acetylcholine binding protein (Ls-AChBP) in complex with 5-Fluoronicotine (TI-4650) Deposited 2015-05-27 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 20–229（210 aa）
Chain B 20–229（210 aa）
Chain C 20–229（210 aa）
Chain D 20–229（210 aa）
Chain E 20–229（210 aa）
Not recorded PO4 PHOSPHATE ION × 5 FN1 5-fluoronicotine × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.26 M ammonium phosphate, 35% glycerol
Resolution 2.40 Å R-free 0.248
5BP0 X-ray crystal structure of Lymnaea stagnalis acetylcholine binding protein (Ls-AChBP) in complex with 5-Fluoronicotine (TI-4650) Deposited 2015-05-27 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain F 20–229（210 aa）
Chain G 20–229（210 aa）
Chain H 20–229（210 aa）
Chain I 20–229（210 aa）
Chain J 20–229（210 aa）
Not recorded PO4 PHOSPHATE ION × 5 FN1 5-fluoronicotine × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.26 M ammonium phosphate, 35% glycerol
Resolution 2.40 Å R-free 0.248
5J5F X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with N4,N4-bis[(pyridin-2-yl)methyl]-6-(thiophen-3-yl)pyrimidine-2,4-diamine Deposited 2016-04-02 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 20–229（210 aa）
Chain B 20–229（210 aa）
Chain C 20–229（210 aa）
Chain D 20–229（210 aa）
Chain E 20–229（210 aa）
Not recorded PO4 PHOSPHATE ION × 6 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 6GH N~4~,N~4~-bis[(pyridin-2-yl)methyl]-6-(thiophen-3-yl)pyrimidine-2,4-diamine × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol
Resolution 2.04 Å R-free 0.202
5J5F X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with N4,N4-bis[(pyridin-2-yl)methyl]-6-(thiophen-3-yl)pyrimidine-2,4-diamine Deposited 2016-04-02 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain F 20–229（210 aa）
Chain G 20–229（210 aa）
Chain H 20–229（210 aa）
Chain I 20–229（210 aa）
Chain J 20–229（210 aa）
Not recorded PO4 PHOSPHATE ION × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 6GH N~4~,N~4~-bis[(pyridin-2-yl)methyl]-6-(thiophen-3-yl)pyrimidine-2,4-diamine × 5 GOL GLYCEROL × 2 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol
Resolution 2.04 Å R-free 0.202
5J5G X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with 6-(4-methoxyphenyl)-N4,N4-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine Deposited 2016-04-02 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 20–229（210 aa）
Chain B 20–229（210 aa）
Chain C 20–229（210 aa）
Chain D 20–229（210 aa）
Chain E 20–229（210 aa）
Not recorded PO4 PHOSPHATE ION × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 6GF 6-(4-methoxyphenyl)-N~4~,N~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol
Resolution 2.04 Å R-free 0.209
5J5G X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with 6-(4-methoxyphenyl)-N4,N4-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine Deposited 2016-04-02 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain F 20–229（210 aa）
Chain G 20–229（210 aa）
Chain H 20–229（210 aa）
Chain I 20–229（210 aa）
Chain J 20–229（210 aa）
Not recorded PO4 PHOSPHATE ION × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 6GF 6-(4-methoxyphenyl)-N~4~,N~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol
Resolution 2.04 Å R-free 0.209
5J5H X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 6-(2-methoxyphenyl)-N4,N4-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine Deposited 2016-04-02 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 20–229（210 aa）
Chain B 20–229（210 aa）
Chain C 20–229（210 aa）
Chain D 20–229（210 aa）
Chain E 20–229（210 aa）
Not recorded 6GK 6-(2-methoxyphenyl)-N~4~,N~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 PO4 PHOSPHATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol
Resolution 2.70 Å R-free 0.297
5J5H X-RAY STRUCTURE OF ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 6-(2-methoxyphenyl)-N4,N4-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine Deposited 2016-04-02 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain F 20–229（210 aa）
Chain G 20–229（210 aa）
Chain H 20–229（210 aa）
Chain I 20–229（210 aa）
Chain J 20–229（210 aa）
Not recorded 6GK 6-(2-methoxyphenyl)-N~4~,N~4~-bis[(pyridin-2-yl)methyl]pyrimidine-2,4-diamine × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 PO4 PHOSPHATE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol
Resolution 2.70 Å R-free 0.297
5J5I X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with 4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol Deposited 2016-04-02 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 20–229（210 aa）
Chain B 20–229（210 aa）
Chain C 20–229（210 aa）
Chain D 20–229（210 aa）
Chain E 20–229（210 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 6GM 4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol × 5 PO4 PHOSPHATE ION × 10 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol
Resolution 2.33 Å R-free 0.250
5J5I X-Ray Crystal Structure of Acetylcholine Binding Protein (AChBP) in Complex with 4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol Deposited 2016-04-02 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain F 20–229（210 aa）
Chain G 20–229（210 aa）
Chain H 20–229（210 aa）
Chain I 20–229（210 aa）
Chain J 20–229（210 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 6GM 4-(2-amino-6-{bis[(pyridin-2-yl)methyl]amino}pyrimidin-4-yl)phenol × 5 PO4 PHOSPHATE ION × 11 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；290 K；0.26 M ammonium phosphate monobasic, 35% v/v glycerol
Resolution 2.33 Å R-free 0.250
5T90 Structural mechanisms for alpha-conotoxin selectivity at the human alpha3beta4 nicotinic acetylcholine receptor Deposited 2016-09-08 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 10 PDB declaration: decameric
Chain A 20–229（210 aa）
Chain B 20–229（210 aa）
Chain C 20–229（210 aa）
Chain D 20–229（210 aa）
Chain E 20–229（210 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.3；293 K；0.871 M ammonium sulphate, 7.55% PEG 3350, 2-propanol 7.45% and ammonium acetate 0.1 M pH 4.3
Resolution 2.80 Å R-free 0.245
5Y2Q X-ray structure of acetylcholine binding protein (AChBP) complexed with a small molecule Deposited 2017-07-26 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 21–229（209 aa） Fragment：UNP residues 21-229
Chain B 21–229（209 aa） Fragment：UNP residues 21-229
Chain C 21–229（209 aa） Fragment：UNP residues 21-229
Chain D 21–229（209 aa） Fragment：UNP residues 21-229
Chain E 21–229（209 aa） Fragment：UNP residues 21-229
Not recorded 8L3 3-[[4-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methoxy]pyridine × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；TRIS PH 8.0, AMMONIUM SULFATE
Resolution 2.36 Å R-free 0.277
7DJI Crystal structure of Lymnaea stagnalis Acetylcholine binding protein (AChBP) complexed with Paraherquamide A Deposited 2020-11-20 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 21–229（209 aa）
Chain B 21–229（209 aa）
Chain C 21–229（209 aa）
Chain D 21–229（209 aa）
Chain E 21–229（209 aa）
Not recorded H8U Paraherquamide A × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；298 K；14.1-15.6% PEG 4000, Sodium Citrate buffer pH 5.0
Resolution 2.20 Å R-free 0.231
7N0W Rigidity of loop 1 contributes to equipotency of globular and ribbon isomers of alpha-conotoxin AusIA Deposited 2021-05-26 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain A 20–224（205 aa）
Chain B 20–224（205 aa）
Chain C 20–224（205 aa）
Chain D 20–224（205 aa）
Chain E 20–224（205 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；296.15 K；0.1 M calcium acetate hydrate, 12% PEG400, 0.1M MES pH 6.0
Resolution 2.46 Å R-free 0.240
7N0Y Rigidity of loop 1 contributes to equipotency of globular and ribbon isomers of alpha-conotoxin AusIA Deposited 2021-05-26 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain A 20–224（205 aa）
Chain B 20–224（205 aa）
Chain C 20–224（205 aa）
Chain D 20–224（205 aa）
Chain E 20–224（205 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；296.15 K；0.1 M calcium acetate hydrate, 18% PEG400, 0.1M MES pH 6.0
Resolution 2.58 Å R-free 0.253
7N43 Alpha-conotoxin OmIA with unusual pharmacological properties at alpha7 nicotinic receptors Deposited 2021-06-03 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 10 PDB declaration: decameric
Chain A 20–229（210 aa）
Chain B 20–229（210 aa）
Chain C 20–229（210 aa）
Chain D 20–229（210 aa）
Chain E 20–229（210 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2 M ammonium sulfate, 5% PEG4000 and 0.1M sodium acetate trihydrate pH 4.6
Resolution 2.47 Å R-free 0.212
7NDP X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001856. Deposited 2021-02-02 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 1–229（229 aa）
Chain B 1–229（229 aa）
Chain C 1–229（229 aa）
Chain D 1–229（229 aa）
Chain E 1–229（229 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 GOL GLYCEROL × 5 U8T 6-bromanylspiro[3~{H}-chromene-2,4'-piperidine]-4-one × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75
Resolution 2.00 Å R-free 0.243
7NDP X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001856. Deposited 2021-02-02 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain F 1–229（229 aa）
Chain G 1–229（229 aa）
Chain H 1–229（229 aa）
Chain I 1–229（229 aa）
Chain J 1–229（229 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 U8T 6-bromanylspiro[3~{H}-chromene-2,4'-piperidine]-4-one × 4 SO4 SULFATE ION × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75
Resolution 2.00 Å R-free 0.243
7NDV X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001888. Deposited 2021-02-02 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 1–229（229 aa）
Chain B 1–229（229 aa）
Chain C 1–229（229 aa）
Chain D 1–229（229 aa）
Chain E 1–229（229 aa）
Not recorded U8Q 4-[4-(trifluoromethyl)phenoxy]piperidine × 4 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75
Resolution 1.70 Å R-free 0.233
7NDV X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001888. Deposited 2021-02-02 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain F 1–229（229 aa）
Chain G 1–229（229 aa）
Chain H 1–229（229 aa）
Chain I 1–229（229 aa）
Chain J 1–229（229 aa）
Not recorded U8Q 4-[4-(trifluoromethyl)phenoxy]piperidine × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75
Resolution 1.70 Å R-free 0.233
7PD6 Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Sulfoxaflor Deposited 2021-08-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain AaA 21–229（209 aa）
Chain BaB 21–229（209 aa）
Chain CaC 21–229（209 aa）
Chain DaD 21–229（209 aa）
Chain EaE 21–229（209 aa）
Mutation：Q55R, D66N, M114V Mutation：Q55R, D66N, M114V Mutation：Q55R, D66N, M114V Mutation：Q55R, D66N, M114V Mutation：Q55R, D66N, M114V 7II Sulfoxaflor × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；14-18% PEG3350, 0.1-0.25M diammonium hydrogen citrate, 15% glycerol
Resolution 2.00 Å R-free 0.231
7PD6 Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Sulfoxaflor Deposited 2021-08-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain FaF 21–229（209 aa）
Chain GaG 21–229（209 aa）
Chain HaH 21–229（209 aa）
Chain IaI 21–229（209 aa）
Chain JJJ 21–229（209 aa）
Mutation：Q55R, D66N, M114V Mutation：Q55R, D66N, M114V Mutation：Q55R, D66N, M114V Mutation：Q55R, D66N, M114V Mutation：Q55R, D66N, M114V 7II Sulfoxaflor × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；14-18% PEG3350, 0.1-0.25M diammonium hydrogen citrate, 15% glycerol
Resolution 2.00 Å R-free 0.231
7PDB Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Flupyradifurone Deposited 2021-08-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain AaA 21–229（209 aa）
Chain BaB 21–229（209 aa）
Chain CaC 21–229（209 aa）
Chain DaD 21–229（209 aa）
Chain EaE 21–229（209 aa）
Mutation：Q55R, N66D, M114V Mutation：Q55R, N66D, M114V Mutation：Q55R, N66D, M114V Mutation：Q55R, N66D, M114V Mutation：Q55R, N66D, M114V 7IE Flupyradifurone × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；14-18% PEG3350, 0.1-0.25M diammonium hydrogen citrate, 15% glycerol
Resolution 2.33 Å R-free 0.256
7PDR Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Dichloromezotiaz Deposited 2021-08-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain AaA 21–229（209 aa）
Chain BaB 21–229（209 aa）
Chain CaC 21–229（209 aa）
Chain DaD 21–229（209 aa）
Chain EaE 21–229（209 aa）
Mutation：Q55R, N66D, M114V Mutation：Q55R, N66D, M114V Mutation：Q55R, N66D, M114V Mutation：Q55R, N66D, M114V Mutation：Q55R, N66D, M114V 7JI 3-[3,5-bis(chloranyl)phenyl]-1-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-9-methyl-pyrido[1,2-a]pyrimidine-2,4-dione × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；14-18% PEG3350, 0.1-0.25M diammonium hydrogen citrate, 15% glycerol
Resolution 2.33 Å R-free 0.245
7PE5 Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Triflumezopyrim Deposited 2021-08-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain AaA 21–229（209 aa）
Chain BaB 21–229（209 aa）
Chain CaC 21–229（209 aa）
Chain DaD 21–229（209 aa）
Chain EaE 21–229（209 aa）
Mutation：Q55R, N66D, M114V Mutation：Q55R, N66D, M114V Mutation：Q55R, N66D, M114V Mutation：Q55R, N66D, M114V Mutation：Q55R, N66D, M114V 7OB 4-oxidanylidene-1-(pyrimidin-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-1-ium-2-olate × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；14-18% PEG3350, 0.1-0.25M diammonium hydrogen citrate, 15% glycerol
Resolution 2.10 Å R-free 0.229
7PE6 Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Flupyrimin Deposited 2021-08-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain AaA 21–229（209 aa）
Chain BaB 21–229（209 aa）
Chain CaC 21–229（209 aa）
Chain DaD 21–229（209 aa）
Chain EaE 21–229（209 aa）
Mutation：Q55R, N66D, M114V Mutation：Q55R, N66D, M114V Mutation：Q55R, N66D, M114V Mutation：Q55R, N66D, M114V Mutation：Q55R, N66D, M114V 7OF (~{N}~{E})-~{N}-[1-[(6-chloranylpyridin-3-yl)methyl]pyridin-2-ylidene]-2,2,2-tris(fluoranyl)ethanamide × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；14-18% PEG3350, 0.1-0.25M diammonium hydrogen citrate, 15% glycerol
Resolution 2.01 Å R-free 0.227
7TXF The allosteric binding mode of alphaD-conotoxin VxXXB Deposited 2022-02-09 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 20–224（205 aa）
Chain B 20–224（205 aa）
Chain C 20–224（205 aa）
Chain D 20–224（205 aa）
Chain E 20–224（205 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；296.15 K；0.91 M lithium chloride, 16% PEG6000 and 0.1 M MES monohydrate pH 6.4
Resolution 2.47 Å R-free 0.246
8P11 X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL003044. Deposited 2023-05-11 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 1–229（229 aa）
Chain B 1–229（229 aa）
Chain C 1–229（229 aa）
Chain D 1–229（229 aa）
Chain E 1–229（229 aa）
Not recorded CL CHLORIDE ION × 5 WD5 4-(4-chlorophenyl)piperidin-4-ol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75
Resolution 1.90 Å R-free 0.244
8P11 X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL003044. Deposited 2023-05-11 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain F 1–229（229 aa）
Chain G 1–229（229 aa）
Chain H 1–229（229 aa）
Chain I 1–229（229 aa）
Chain J 1–229（229 aa）
Not recorded CL CHLORIDE ION × 5 WD5 4-(4-chlorophenyl)piperidin-4-ol × 3 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75
Resolution 1.90 Å R-free 0.244
8P1E X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001613. Deposited 2023-05-11 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 1–229（229 aa）
Chain B 1–229（229 aa）
Chain C 1–229（229 aa）
Chain D 1–229（229 aa）
Chain E 1–229（229 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 GOL GLYCEROL × 4 SO4 SULFATE ION × 2 WD2 1-[4-(trifluoromethyl)pyridin-2-yl]piperazine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75
Resolution 2.10 Å R-free 0.241
8P1E X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001613. Deposited 2023-05-11 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain F 1–229（229 aa）
Chain G 1–229（229 aa）
Chain H 1–229（229 aa）
Chain I 1–229（229 aa）
Chain J 1–229（229 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 GOL GLYCEROL × 2 SO4 SULFATE ION × 1 WD2 1-[4-(trifluoromethyl)pyridin-2-yl]piperazine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75
Resolution 2.10 Å R-free 0.241
8P1F X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001909. Deposited 2023-05-12 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 1–229（229 aa）
Chain B 1–229（229 aa）
Chain C 1–229（229 aa）
Chain D 1–229（229 aa）
Chain E 1–229（229 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 WCW 4-azanyl-1-phenyl-piperidine-4-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75
Resolution 2.10 Å R-free 0.255
8P1F X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001909. Deposited 2023-05-12 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain F 1–229（229 aa）
Chain G 1–229（229 aa）
Chain H 1–229（229 aa）
Chain I 1–229（229 aa）
Chain J 1–229（229 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 WCW 4-azanyl-1-phenyl-piperidine-4-carboxylic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75
Resolution 2.10 Å R-free 0.255
8P1F X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001909. Deposited 2023-05-12 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain K 1–229（229 aa）
Chain L 1–229（229 aa）
Chain M 1–229（229 aa）
Chain N 1–229（229 aa）
Chain O 1–229（229 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75
Resolution 2.10 Å R-free 0.255
8P1F X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001909. Deposited 2023-05-12 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain P 1–229（229 aa）
Chain Q 1–229（229 aa）
Chain R 1–229（229 aa）
Chain S 1–229（229 aa）
Chain T 1–229（229 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75
Resolution 2.10 Å R-free 0.255
8P22 X-ray structure of acetylcholine-binding protein (AChBP) in complex with IOTA376. Deposited 2023-05-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 10 PDB declaration: decameric
Chain A 20–224（205 aa）
Chain B 20–224（205 aa）
Chain C 20–224（205 aa）
Chain D 20–224（205 aa）
Chain E 20–224（205 aa）
Chain F 20–224（205 aa）
Chain G 20–224（205 aa）
Chain H 20–224（205 aa）
Chain I 20–224（205 aa）
Chain J 20–224（205 aa）
Not recorded WNO 2-[(2~{R})-1-ethylimidazolidin-2-yl]-6-pyridin-2-yl-pyridine × 9 SO4 SULFATE ION × 3 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG 3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75
Resolution 2.20 Å R-free 0.304
8XSU Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein Q55R Mutant Complexed with Dinotefuran Deposited 2024-01-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 19–228（210 aa）
Chain B 19–228（210 aa）
Chain C 19–228（210 aa）
Chain D 20–225（206 aa）
Chain E 19–228（210 aa）
Mutation：Q55R Mutation：Q55R Mutation：Q55R Mutation：Q55R Mutation：Q55R A1LW0 2-methyl-1-nitro-3-[(tetrahydro-3-furanyl) methyl] guanidine × 5 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.4；293 K；PEG4000 16.5 - 18.0% , sodium citrate 0.2M
Resolution 2.63 Å R-free 0.254
8XSW Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein Complexed with Dinotefuran Deposited 2024-01-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 19–227（209 aa）
Chain B 19–227（209 aa）
Chain C 19–227（209 aa）
Chain D 19–227（209 aa）
Chain E 19–227（209 aa）
Mutation：N66D Mutation：N66D Mutation：N66D Mutation：N66D Mutation：N66D A1LW0 2-methyl-1-nitro-3-[(tetrahydro-3-furanyl) methyl] guanidine × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.7；293 K；0.2 M Na citrate, pH 5.7, 15-22% PEG3350, 1.0 mM dinotefuran,
Resolution 2.60 Å R-free 0.233
9SG3 X-ray structure of acetylcholine binding protein (AChBP) in complex with IOTA739 Deposited 2025-08-21 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 20–225（206 aa）
Chain B 20–225（206 aa）
Chain C 20–225（206 aa）
Chain D 20–225（206 aa）
Chain E 20–225（206 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 PHN 1,10-PHENANTHROLINE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulfate 1.8 M HEPES buffer 0.1M, pH 7.75
Resolution 3.00 Å R-free 0.269
9SG3 X-ray structure of acetylcholine binding protein (AChBP) in complex with IOTA739 Deposited 2025-08-21 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain F 20–225（206 aa）
Chain G 20–225（206 aa）
Chain H 20–225（206 aa）
Chain I 20–225（206 aa）
Chain J 20–225（206 aa）
Not recorded PHN 1,10-PHENANTHROLINE × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；PEG3350 3% Ammonium sulfate 1.8 M HEPES buffer 0.1M, pH 7.75
Resolution 3.00 Å R-free 0.269

59 other PDB entries and 121 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name ACHP_LYMST
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–210； UniProt 20–229 Author chain B； PDBConstruct 1–210； UniProt 20–229 Author chain C； PDBConstruct 1–210； UniProt 20–229 Author chain D； PDBConstruct 1–210； UniProt 20–229 Author chain E； PDBConstruct 1–210； UniProt 20–229 Author chain F； PDBConstruct 1–210； UniProt 20–229 Author chain G； PDBConstruct 1–210； UniProt 20–229 Author chain H； PDBConstruct 1–210； UniProt 20–229 Author chain I； PDBConstruct 1–210； UniProt 20–229 Author chain J； PDBConstruct 1–210； UniProt 20–229

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 3u8l

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 3u8l
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2. Structure Basics 2. Structure Basics

Entry ID entry_id3u8l
Deposition date deposition_date2011-10-17
Structure title titleCrystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3570 (1-(5-phenylpyridin-3-yl)-1,4-diazepane)
Keywords keywords;Lymnaea stagnalis, agonist, Ligand-bindig domain, Acetylcholine, Acetylcholine-binding protein, Acetylcholine-binding protein-agonist complex ;; Acetylcholine-binding protein/agonist
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier40.87 Å
Radius of gyration Rg (electron density) rg_electron40.29 Å
Forward intensity I(0) i01602210000.00
Molecular weight molecular_weight216690.0 kDa
Excluded volume excluded_volume208420 ų
Envelope volume envelope_volume385900 ų
Hydration-shell volume shell_volume78106 ų
Envelope diameter envelope_diameter135.1 Å
Shell Rg shell_rg47.33 Å
Envelope Rg envelope_rg39.11 Å
Shape Rg shape_rg40.23 Å
Total Rg total_rg40.66 Å
Total atoms total_atoms16418
Residues n_residues2019
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax131.8 Å
Rg (real space) rg_real40.75 Å
Rg uncertainty (real space) rg_real_error1.05 Å
I(0) (real space) i0_real1.6020e+09
I(0) uncertainty (real space) i0_real_error2.8420e+07
Rg (reciprocal space) rg_reciprocal40.87 Å
I(0) (reciprocal space) i0_reciprocal1602000000.0000
Solution quality estimate total_estimate0.8766
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary50.7 Å
Skewness Skewness skewness0.266
Kurtosis Kurtosis kurtosis-0.344
Angular range angular_range— – 0.1950 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha137700000.0000
Real-space data points n_real_points40
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.827; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.992; Smooth: 0.918
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (4)

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7. Fold Classification (SCOP + CATH) 20 domains

SCOP 2.08 (10 domains)

Domain ID domain_idd3u8la_
Class classb — All beta proteins
Fold Fold foldb.96 — Nicotinic receptor ligand binding domain-like
Superfamily Superfamily superfamilyb.96.1 — Nicotinic receptor ligand binding domain-like
Family Family familyb.96.1.1 — Nicotinic receptor ligand binding domain-like
Domain ID domain_idd3u8lb_
Class classb — All beta proteins
Fold Fold foldb.96 — Nicotinic receptor ligand binding domain-like
Superfamily Superfamily superfamilyb.96.1 — Nicotinic receptor ligand binding domain-like
Family Family familyb.96.1.1 — Nicotinic receptor ligand binding domain-like
Domain ID domain_idd3u8lc_
Class classb — All beta proteins
Fold Fold foldb.96 — Nicotinic receptor ligand binding domain-like
Superfamily Superfamily superfamilyb.96.1 — Nicotinic receptor ligand binding domain-like
Family Family familyb.96.1.1 — Nicotinic receptor ligand binding domain-like
Domain ID domain_idd3u8ld_
Class classb — All beta proteins
Fold Fold foldb.96 — Nicotinic receptor ligand binding domain-like
Superfamily Superfamily superfamilyb.96.1 — Nicotinic receptor ligand binding domain-like
Family Family familyb.96.1.1 — Nicotinic receptor ligand binding domain-like
Domain ID domain_idd3u8le_
Class classb — All beta proteins
Fold Fold foldb.96 — Nicotinic receptor ligand binding domain-like
Superfamily Superfamily superfamilyb.96.1 — Nicotinic receptor ligand binding domain-like
Family Family familyb.96.1.1 — Nicotinic receptor ligand binding domain-like
Domain ID domain_idd3u8lf_
Class classb — All beta proteins
Fold Fold foldb.96 — Nicotinic receptor ligand binding domain-like
Superfamily Superfamily superfamilyb.96.1 — Nicotinic receptor ligand binding domain-like
Family Family familyb.96.1.1 — Nicotinic receptor ligand binding domain-like
Domain ID domain_idd3u8lg_
Class classb — All beta proteins
Fold Fold foldb.96 — Nicotinic receptor ligand binding domain-like
Superfamily Superfamily superfamilyb.96.1 — Nicotinic receptor ligand binding domain-like
Family Family familyb.96.1.1 — Nicotinic receptor ligand binding domain-like
Domain ID domain_idd3u8lh_
Class classb — All beta proteins
Fold Fold foldb.96 — Nicotinic receptor ligand binding domain-like
Superfamily Superfamily superfamilyb.96.1 — Nicotinic receptor ligand binding domain-like
Family Family familyb.96.1.1 — Nicotinic receptor ligand binding domain-like
Domain ID domain_idd3u8li_
Class classb — All beta proteins
Fold Fold foldb.96 — Nicotinic receptor ligand binding domain-like
Superfamily Superfamily superfamilyb.96.1 — Nicotinic receptor ligand binding domain-like
Family Family familyb.96.1.1 — Nicotinic receptor ligand binding domain-like
Domain ID domain_idd3u8lj_
Class classb — All beta proteins
Fold Fold foldb.96 — Nicotinic receptor ligand binding domain-like
Superfamily Superfamily superfamilyb.96.1 — Nicotinic receptor ligand binding domain-like
Family Family familyb.96.1.1 — Nicotinic receptor ligand binding domain-like

CATH v4.4 (10 domains)

Domain ID domain_id3u8lA00
Class class2 — Mainly Beta
Architecture architecture70 — Distorted Sandwich
Topology topology170 — Acetylcholine Binding Protein; Chain: A,
Homologous superfamily homologous superfamily10 — Neurotransmitter-gated ion-channel ligand-binding domain
Domain ID domain_id3u8lB00
Class class2 — Mainly Beta
Architecture architecture70 — Distorted Sandwich
Topology topology170 — Acetylcholine Binding Protein; Chain: A,
Homologous superfamily homologous superfamily10 — Neurotransmitter-gated ion-channel ligand-binding domain
Domain ID domain_id3u8lC00
Class class2 — Mainly Beta
Architecture architecture70 — Distorted Sandwich
Topology topology170 — Acetylcholine Binding Protein; Chain: A,
Homologous superfamily homologous superfamily10 — Neurotransmitter-gated ion-channel ligand-binding domain
Domain ID domain_id3u8lD00
Class class2 — Mainly Beta
Architecture architecture70 — Distorted Sandwich
Topology topology170 — Acetylcholine Binding Protein; Chain: A,
Homologous superfamily homologous superfamily10 — Neurotransmitter-gated ion-channel ligand-binding domain
Domain ID domain_id3u8lE00
Class class2 — Mainly Beta
Architecture architecture70 — Distorted Sandwich
Topology topology170 — Acetylcholine Binding Protein; Chain: A,
Homologous superfamily homologous superfamily10 — Neurotransmitter-gated ion-channel ligand-binding domain
Domain ID domain_id3u8lF00
Class class2 — Mainly Beta
Architecture architecture70 — Distorted Sandwich
Topology topology170 — Acetylcholine Binding Protein; Chain: A,
Homologous superfamily homologous superfamily10 — Neurotransmitter-gated ion-channel ligand-binding domain
Domain ID domain_id3u8lG00
Class class2 — Mainly Beta
Architecture architecture70 — Distorted Sandwich
Topology topology170 — Acetylcholine Binding Protein; Chain: A,
Homologous superfamily homologous superfamily10 — Neurotransmitter-gated ion-channel ligand-binding domain
Domain ID domain_id3u8lH00
Class class2 — Mainly Beta
Architecture architecture70 — Distorted Sandwich
Topology topology170 — Acetylcholine Binding Protein; Chain: A,
Homologous superfamily homologous superfamily10 — Neurotransmitter-gated ion-channel ligand-binding domain
Domain ID domain_id3u8lI00
Class class2 — Mainly Beta
Architecture architecture70 — Distorted Sandwich
Topology topology170 — Acetylcholine Binding Protein; Chain: A,
Homologous superfamily homologous superfamily10 — Neurotransmitter-gated ion-channel ligand-binding domain
Domain ID domain_id3u8lJ00
Class class2 — Mainly Beta
Architecture architecture70 — Distorted Sandwich
Topology topology170 — Acetylcholine Binding Protein; Chain: A,
Homologous superfamily homologous superfamily10 — Neurotransmitter-gated ion-channel ligand-binding domain
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8. Citations (1)

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9. Files and Curves (10)