Acetylcholine-binding protein
Lymnaea stagnalis
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 21–229 Chain B； UniProt 21–229 Chain C； UniProt 21–229 Chain D； UniProt 21–229 Chain E； UniProt 21–229 | Fragment：UNP residues 21-229 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 |
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 3WTK | 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 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
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 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 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric |
Chain A
19–229（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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 construct Different mutation/modification 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 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
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 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 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 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
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 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 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 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
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 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 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 |
| 3U8L Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3570 (1-(5-phenylpyridin-3-yl)-1,4-diazepane) Deposited 2011-10-17 | 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
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 | 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 |
| 3U8L Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3570 (1-(5-phenylpyridin-3-yl)-1,4-diazepane) Deposited 2011-10-17 | 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 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 | 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 |
| 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 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
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 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 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 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
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 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 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 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
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 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 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 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
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 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 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 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）
|
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 mutation/modification 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 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 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 mutation/modification 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 |
| 3WTL Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Nitromethylene Analogue of Imidacloprid Deposited 2014-04-11 | 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
|
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 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 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
|
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 mutation/modification 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 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 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 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 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 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 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 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 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 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 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
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 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 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 mutation/modification 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 mutation/modification 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 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 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 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 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 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
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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 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
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 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 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 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
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 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 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 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
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 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 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 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
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 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 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 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
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 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 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 construct Different mutation/modification 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 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
|
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 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）
|
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 mutation/modification 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 mutation/modification 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 construct Different mutation/modification 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 mutation/modification 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 mutation/modification 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 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）
|
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 mutation/modification 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 mutation/modification 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 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）
|
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 mutation/modification 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 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）
|
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 mutation/modification 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 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）
|
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 mutation/modification 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 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）
|
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 mutation/modification 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 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 mutation/modification 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 mutation/modification 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 122 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 6–214； UniProt 21–229 Author chain B； PDBConstruct 6–214； UniProt 21–229 Author chain C； PDBConstruct 6–214； UniProt 21–229 Author chain D； PDBConstruct 6–214； UniProt 21–229 Author chain E； PDBConstruct 6–214； UniProt 21–229 |
