|
2BR7
Crystal Structure of Acetylcholine-binding Protein (AChBP) from Aplysia californica in complex with HEPES
Deposited 2005-05-03
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
20–236（217 aa）
Chain B
20–236（217 aa）
Chain C
20–236（217 aa）
Chain D
20–236（217 aa）
Chain E
20–236（217 aa）
|
Not recorded
|
EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 4
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；100 MM HEPES 1.15 M SODIUM MALONATE, pH 7.00
|
Resolution 3.00 Å
R-free 0.249
|
|
2BR8
Crystal Structure of Acetylcholine-binding Protein (AChBP) from Aplysia californica in complex with an alpha-conotoxin PnIA variant
Deposited 2005-05-03
|
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
20–236（217 aa）
Chain B
20–236（217 aa）
Chain C
20–236（217 aa）
Chain D
20–236（217 aa）
Chain E
20–236（217 aa）
|
Not recorded
|
SO4 SULFATE ION × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；18 % PEG 3350, 180 MM NA2SO4, 100 MM BIS-TRIS PROPANE PH 7.5
|
Resolution 2.40 Å
R-free 0.250
|
|
2BYN
Crystal structure of apo AChBP from Aplysia californica
Deposited 2005-08-03
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
18–236（219 aa）
Chain B
18–236（219 aa）
Chain C
18–236（219 aa）
Chain D
18–236（219 aa）
Chain E
18–236（219 aa）
|
Not recorded
|
PG4 TETRAETHYLENE GLYCOL × 4
1PE PENTAETHYLENE GLYCOL × 1
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.6；12-14% PEG 4000, 0.1 M SODIUM CITRATE, PH 5.6, 20% ISOPROPANOL, 5% GLYCEROL
|
Resolution 2.02 Å
R-free 0.202
|
|
2BYP
Crystal structure of Aplysia californica AChBP in complex with alpha- conotoxin ImI
Deposited 2005-08-03
|
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
18–225（208 aa）
Chain B
18–225（208 aa）
Chain C
18–225（208 aa）
Chain D
18–225（208 aa）
Chain E
18–225（208 aa）
|
Not recorded
|
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；11-14% PEG-4000, 0.1 M TRIS, PH 7.5, 0.4 M MGCL2
|
Resolution 2.07 Å
R-free 0.214
|
|
2BYQ
Crystal structure of Aplysia californica AChBP in complex with epibatidine
Deposited 2005-08-03
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
18–236（219 aa）
Chain B
18–236（219 aa）
Chain C
18–236（219 aa）
Chain D
18–236（219 aa）
Chain E
18–236（219 aa）
|
Not recorded
|
EPJ EPIBATIDINE × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；18-22% PEG-3350, 0.1 M TRIS, PH 7.5, 0.2 M SODIUM CITRATE
|
Resolution 3.40 Å
R-free 0.255
|
|
2BYR
CRYSTAL STRUCTURE OF ACHBP FROM APLYSIA CALIFORNICA in complex with methyllycaconitine
Deposited 2005-08-03
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
18–236（219 aa）
Chain B
18–236（219 aa）
Chain C
18–236（219 aa）
Chain D
18–236（219 aa）
Chain E
18–236（219 aa）
|
Not recorded
|
MLK METHYLLYCACONITINE × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；22% PEG 4K, 0.1 M TRIS, PH 7.5, 0.4 M MG2CL
|
Resolution 2.45 Å
R-free 0.232
|
|
2BYR
CRYSTAL STRUCTURE OF ACHBP FROM APLYSIA CALIFORNICA in complex with methyllycaconitine
Deposited 2005-08-03
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain F
18–236（219 aa）
Chain G
18–236（219 aa）
Chain H
18–236（219 aa）
Chain I
18–236（219 aa）
Chain J
18–236（219 aa）
|
Not recorded
|
MLK METHYLLYCACONITINE × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；22% PEG 4K, 0.1 M TRIS, PH 7.5, 0.4 M MG2CL
|
Resolution 2.45 Å
R-free 0.232
|
|
2BYS
CRYSTAL STRUCTURE OF ACHBP FROM APLYSIA CALIFORNICA IN complex with lobeline
Deposited 2005-08-04
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
18–236（219 aa）
Chain B
18–236（219 aa）
Chain C
18–236（219 aa）
Chain D
18–236（219 aa）
Chain E
18–236（219 aa）
|
Not recorded
|
LOB LOBELINE × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；25% PEG 4K, 0.1 M HEPES, PH 7.5
|
Resolution 2.05 Å
R-free 0.258
|
|
2BYS
CRYSTAL STRUCTURE OF ACHBP FROM APLYSIA CALIFORNICA IN complex with lobeline
Deposited 2005-08-04
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain F
18–236（219 aa）
Chain G
18–236（219 aa）
Chain H
18–236（219 aa）
Chain I
18–236（219 aa）
Chain J
18–236（219 aa）
|
Not recorded
|
LOB LOBELINE × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；25% PEG 4K, 0.1 M HEPES, PH 7.5
|
Resolution 2.05 Å
R-free 0.258
|
|
2C9T
Crystal Structure Of Acetylcholine Binding Protein (AChBP) From Aplysia Californica In Complex With alpha-Conotoxin ImI
Deposited 2005-12-14
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 18
PDB declaration: octadecameric
|
Chain A
20–236（217 aa）
Chain B
20–236（217 aa）
Chain C
20–236（217 aa）
Chain D
20–236（217 aa）
Chain E
20–236（217 aa）
Chain F
20–236（217 aa）
Chain G
20–236（217 aa）
Chain H
20–236（217 aa）
Chain I
20–236（217 aa）
Chain J
20–236（217 aa）
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
100 MM SODIUM ACETATE PH 5.5, 12.5% PEG5000 MME
|
Resolution 2.25 Å
R-free 0.227
|
|
2PGZ
Crystal structure of Cocaine bound to an ACh-Binding Protein
Deposited 2007-04-10
|
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
18–236（219 aa）
Fragment：residues 18-236
Chain B
18–236（219 aa）
Fragment：residues 18-236
Chain C
18–236（219 aa）
Fragment：residues 18-236
Chain D
18–236（219 aa）
Fragment：residues 18-236
Chain E
18–236（219 aa）
Fragment：residues 18-236
|
Not recorded
|
COC COCAINE × 2
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1
PG4 TETRAETHYLENE GLYCOL × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；0.1M Tris-HCL 10% (w/v) PEG 400, 15% (w/v) PEG 1000, 2ul drop, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.76 Å
R-free 0.210
|
|
2PH9
Galanthamine bound to an ACh-binding Protein
Deposited 2007-04-10
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
18–236（219 aa）
Fragment：residues 18-236
Chain B
18–236（219 aa）
Fragment：residues 18-236
Chain C
18–236（219 aa）
Fragment：residues 18-236
Chain D
18–236（219 aa）
Fragment：residues 18-236
Chain E
18–236（219 aa）
Fragment：residues 18-236
|
Not recorded
|
GNT (-)-GALANTHAMINE × 4
PG4 TETRAETHYLENE GLYCOL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.6；291 K；0.1 M sodium citrate, 10% (w/v) PEG-1000, 24% (v/v) isopropanol, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.88 Å
R-free 0.237
|
|
2UZ6
AChBP-targeted a-conotoxin correlates distinct binding orientations with nAChR subtype selectivity.
Deposited 2007-04-25
|
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
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain B
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain C
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain D
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain E
20–236（217 aa）
Fragment：RESIDUES 20-236
|
Not recorded
|
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1
GOL GLYCEROL × 1
|
X-RAY DIFFRACTION
mmCIF provides none of the parsed conditions
|
Resolution 2.40 Å
R-free 0.252
|
|
2UZ6
AChBP-targeted a-conotoxin correlates distinct binding orientations with nAChR subtype selectivity.
Deposited 2007-04-25
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer；Protein × 10
PDB declaration: decameric
|
Chain F
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain G
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain H
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain I
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain J
20–236（217 aa）
Fragment：RESIDUES 20-236
|
Not recorded
|
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1
GOL GLYCEROL × 1
|
X-RAY DIFFRACTION
mmCIF provides none of the parsed conditions
|
Resolution 2.40 Å
R-free 0.252
|
|
2W8F
Aplysia californica AChBP bound to in silico compound 31
Deposited 2009-01-16
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain B
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain C
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain D
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain E
20–236（217 aa）
Fragment：RESIDUES 20-236
|
Not recorded
|
BS1 (3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE × 1
|
X-RAY DIFFRACTION
mmCIF provides none of the parsed conditions
|
Resolution 2.70 Å
R-free 0.267
|
|
2W8F
Aplysia californica AChBP bound to in silico compound 31
Deposited 2009-01-16
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain F
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain G
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain H
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain I
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain J
20–236（217 aa）
Fragment：RESIDUES 20-236
|
Not recorded
|
BS1 (3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE × 1
|
X-RAY DIFFRACTION
mmCIF provides none of the parsed conditions
|
Resolution 2.70 Å
R-free 0.267
|
|
2W8G
Aplysia californica AChBP bound to in silico compound 35
Deposited 2009-01-16
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain B
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain C
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain D
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain E
20–236（217 aa）
Fragment：RESIDUES 20-236
|
Not recorded
|
BS2 (3-ENDO,8-ANTI)-8-BENZYL-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8-AZONIABICYCLO[3.2.1]OCTANE × 3
|
X-RAY DIFFRACTION
mmCIF provides none of the parsed conditions
|
Resolution 2.60 Å
R-free 0.250
|
|
2WN9
Crystal structure of Aplysia ACHBP in complex with 4-0H-DMXBA
Deposited 2009-07-07
|
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
18–236（219 aa）
Fragment：RESIDUES 18-236
Chain B
18–236（219 aa）
Fragment：RESIDUES 18-236
Chain C
18–236（219 aa）
Fragment：RESIDUES 18-236
Chain D
18–236（219 aa）
Fragment：RESIDUES 18-236
Chain E
18–236（219 aa）
Fragment：RESIDUES 18-236
|
Not recorded
|
ZY5 4-[(E)-5,6-DIHYDRO-2,3'-BIPYRIDIN-3(4H)-YLIDENEMETHYL]-3-METHOXYPHENOL × 5
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
26% PEG400, 0.1 M HEPES, PH 7.5, 0.2 M MGCL2
|
Resolution 1.75 Å
R-free 0.203
|
|
2WNC
Crystal structure of Aplysia ACHBP in complex with tropisetron
Deposited 2009-07-08
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
18–236（219 aa）
Fragment：RESIDUES 18-236
Chain B
18–236（219 aa）
Fragment：RESIDUES 18-236
Chain C
18–236（219 aa）
Fragment：RESIDUES 18-236
Chain D
18–236（219 aa）
Fragment：RESIDUES 18-236
Chain E
18–236（219 aa）
Fragment：RESIDUES 18-236
|
Not recorded
|
TKT (3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-INDOLE-3-CARBOXYLATE × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
22% PEG4000, 0.1 M TRIS-HCL PH 7.5, 0.2 M LI2SO4
|
Resolution 2.20 Å
R-free 0.212
|
|
2WNJ
CRYSTAL STRUCTURE OF APLYSIA ACHBP IN COMPLEX WITH DMXBA
Deposited 2009-07-09
|
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
18–236（219 aa）
Fragment：RESIDUES 18-236
Chain B
18–236（219 aa）
Fragment：RESIDUES 18-236
Chain C
18–236（219 aa）
Fragment：RESIDUES 18-236
Chain D
18–236（219 aa）
Fragment：RESIDUES 18-236
Chain E
18–236（219 aa）
Fragment：RESIDUES 18-236
|
Not recorded
|
ZY7 (3E)-3-[(2,4-DIMETHOXYPHENYL)METHYLIDENE]-3,4,5,6-TETRAHYDRO-2,3'-BIPYRIDINE × 5
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
13% PEG4000, 0.1 M HEPES PH 7.5, 15% ISOPROPANOL, 15% GLYCEROL
|
Resolution 1.80 Å
R-free 0.206
|
|
2WNL
CRYSTAL STRUCTURE OF APLYSIA ACHBP IN COMPLEX WITH ANABASEINE
Deposited 2009-07-09
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain F
18–236（219 aa）
Fragment：RESIDUES 18-236
Chain G
18–236（219 aa）
Fragment：RESIDUES 18-236
Chain H
18–236（219 aa）
Fragment：RESIDUES 18-236
Chain I
18–236（219 aa）
Fragment：RESIDUES 18-236
Chain J
18–236（219 aa）
Fragment：RESIDUES 18-236
|
Not recorded
|
AN4 3,4,5,6-tetrahydro-2,3'-bipyridine × 2
AN5 5-amino-1-pyridin-3-ylpentan-1-one × 2
MG MAGNESIUM ION × 1
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
19% PEG4000, 95 MM NA-CITRATE, PH 5.6, 19% ISOPROPANOL, 5% GLYCEROL
|
Resolution 2.70 Å
R-free 0.251
|
|
2WNL
CRYSTAL STRUCTURE OF APLYSIA ACHBP IN COMPLEX WITH ANABASEINE
Deposited 2009-07-09
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
18–236（219 aa）
Fragment：RESIDUES 18-236
Chain B
18–236（219 aa）
Fragment：RESIDUES 18-236
Chain C
18–236（219 aa）
Fragment：RESIDUES 18-236
Chain D
18–236（219 aa）
Fragment：RESIDUES 18-236
Chain E
18–236（219 aa）
Fragment：RESIDUES 18-236
|
Not recorded
|
AN4 3,4,5,6-tetrahydro-2,3'-bipyridine × 3
AN5 5-amino-1-pyridin-3-ylpentan-1-one × 2
PG4 TETRAETHYLENE GLYCOL × 1
MG MAGNESIUM ION × 2
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
19% PEG4000, 95 MM NA-CITRATE, PH 5.6, 19% ISOPROPANOL, 5% GLYCEROL
|
Resolution 2.70 Å
R-free 0.251
|
|
2WZY
Crystal structure of A-AChBP in complex with 13-desmethyl spirolide C
Deposited 2009-12-03
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain F
18–236（219 aa）
Fragment：RESIDUES 18-236
Chain G
18–236（219 aa）
Fragment：RESIDUES 18-236
Chain H
18–236（219 aa）
Fragment：RESIDUES 18-236
Chain I
18–236（219 aa）
Fragment：RESIDUES 18-236
Chain J
18–236（219 aa）
Fragment：RESIDUES 18-236
|
Not recorded
|
SQX 13-DESMETHYL SPIROLIDE C × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；27-30% PEG-400, 0.1 M HEPES, PH 7.5-7.7, 0.2 M MGCL2
|
Resolution 2.51 Å
R-free 0.237
|
|
2WZY
Crystal structure of A-AChBP in complex with 13-desmethyl spirolide C
Deposited 2009-12-03
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
18–236（219 aa）
Fragment：RESIDUES 18-236
Chain B
18–236（219 aa）
Fragment：RESIDUES 18-236
Chain C
18–236（219 aa）
Fragment：RESIDUES 18-236
Chain D
18–236（219 aa）
Fragment：RESIDUES 18-236
Chain E
18–236（219 aa）
Fragment：RESIDUES 18-236
|
Not recorded
|
SQX 13-DESMETHYL SPIROLIDE C × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；27-30% PEG-400, 0.1 M HEPES, PH 7.5-7.7, 0.2 M MGCL2
|
Resolution 2.51 Å
R-free 0.237
|
|
2X00
CRYSTAL STRUCTURE OF A-ACHBP IN COMPLEX WITH GYMNODIMINE A
Deposited 2009-12-04
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
18–236（219 aa）
Fragment：RESIDUES 18-236
Chain B
18–236（219 aa）
Fragment：RESIDUES 18-236
Chain C
18–236（219 aa）
Fragment：RESIDUES 18-236
Chain D
18–236（219 aa）
Fragment：RESIDUES 18-236
Chain E
18–236（219 aa）
Fragment：RESIDUES 18-236
|
Not recorded
|
GYN GYMNODIMINE A × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；27-30% PEG-400, 0.1 M HEPES, PH 7.5-7.7, 0.2 M MGCL2
|
Resolution 2.40 Å
R-free 0.235
|
|
2XNT
Acetylcholine binding protein (AChBP) as template for hierarchical in silico screening procedures to identify structurally novel ligands for the nicotinic receptors
Deposited 2010-08-06
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain F
1–236（236 aa）
Chain G
1–236（236 aa）
Chain H
1–236（236 aa）
Chain I
1–236（236 aa）
Chain J
1–236（236 aa）
|
Not recorded
|
VU2 (2S)-2-[(4-CHLOROBENZYL)OXY]-2-PHENYLETHANAMINE × 5
BR BROMIDE ION × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；0.2M SODIUM BROMIDE, 0.1M BIS-TRIS PROPANE PH 7.5, 20% PEG 1000
|
Resolution 3.21 Å
R-free 0.232
|
|
2XNT
Acetylcholine binding protein (AChBP) as template for hierarchical in silico screening procedures to identify structurally novel ligands for the nicotinic receptors
Deposited 2010-08-06
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
1–236（236 aa）
Chain B
1–236（236 aa）
Chain C
1–236（236 aa）
Chain D
1–236（236 aa）
Chain E
1–236（236 aa）
|
Not recorded
|
VU2 (2S)-2-[(4-CHLOROBENZYL)OXY]-2-PHENYLETHANAMINE × 5
BR BROMIDE ION × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；0.2M SODIUM BROMIDE, 0.1M BIS-TRIS PROPANE PH 7.5, 20% PEG 1000
|
Resolution 3.21 Å
R-free 0.232
|
|
2XNU
Acetylcholine binding protein (AChBP) as template for hierarchical in silico screening procedures to identify structurally novel ligands for the nicotinic receptors
Deposited 2010-08-06
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
1–236（236 aa）
Chain B
1–236（236 aa）
Chain C
1–236（236 aa）
Chain D
1–236（236 aa）
Chain E
1–236（236 aa）
|
Not recorded
|
VU3 2-(2-(4-PHENYLPIPERIDIN-1-YL)ETHYL)-1H-INDOLE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；0.2M SODIUM BROMIDE, 0.1M BIS-TRIS PROPANE PH 7.5, 20% PEG3350
|
Resolution 2.55 Å
R-free 0.230
|
|
2XNV
Acetylcholine binding protein (AChBP) as template for hierarchical in silico screening procedures to identify structurally novel ligands for the nicotinic receptors
Deposited 2010-08-06
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain F
1–236（236 aa）
Chain G
1–236（236 aa）
Chain H
1–236（236 aa）
Chain I
1–236（236 aa）
Chain J
1–236（236 aa）
|
Not recorded
|
VU3 2-(2-(4-PHENYLPIPERIDIN-1-YL)ETHYL)-1H-INDOLE × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；2M SODIUM FORMATE, pH 7
|
Resolution 2.44 Å
R-free 0.212
|
|
2XNV
Acetylcholine binding protein (AChBP) as template for hierarchical in silico screening procedures to identify structurally novel ligands for the nicotinic receptors
Deposited 2010-08-06
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
1–236（236 aa）
Chain B
1–236（236 aa）
Chain C
1–236（236 aa）
Chain D
1–236（236 aa）
Chain E
1–236（236 aa）
|
Not recorded
|
VU3 2-(2-(4-PHENYLPIPERIDIN-1-YL)ETHYL)-1H-INDOLE × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；2M SODIUM FORMATE, pH 7
|
Resolution 2.44 Å
R-free 0.212
|
|
2XYS
Crystal structure of Aplysia californica AChBP in complex with strychnine
Deposited 2010-11-19
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain B
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain C
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain D
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain E
20–236（217 aa）
Fragment：RESIDUES 20-236
|
Not recorded
|
SY9 STRYCHNINE × 6
|
X-RAY DIFFRACTION
X-ray crystallization conditions
200 MM SODIUM ACETATE, 100 MM BISTRISPROPANE AT PH 8.5, 15.5% PEG3350
|
Resolution 1.91 Å
R-free 0.210
|
|
2XYT
Crystal structure of Aplysia californica AChBP in complex with d- tubocurarine
Deposited 2010-11-19
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain B
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain C
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain D
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain E
20–236（217 aa）
Fragment：RESIDUES 20-236
|
Not recorded
|
TC9 D-TUBOCURARINE × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
200 MM NA2 SO4, 100 MM BISTRISPROPANE PH 8.5, 15% PEG 3350.
|
Resolution 2.05 Å
R-free 0.220
|
|
2XYT
Crystal structure of Aplysia californica AChBP in complex with d- tubocurarine
Deposited 2010-11-19
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain F
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain G
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain H
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain I
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain J
20–236（217 aa）
Fragment：RESIDUES 20-236
|
Not recorded
|
TC9 D-TUBOCURARINE × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
200 MM NA2 SO4, 100 MM BISTRISPROPANE PH 8.5, 15% PEG 3350.
|
Resolution 2.05 Å
R-free 0.220
|
|
2XZ5
MMTS-modified Y53C mutant of Aplysia AChBP in complex with acetylcholine
Deposited 2010-11-23
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain B
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain C
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain D
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain E
20–236（217 aa）
Fragment：RESIDUES 20-236
|
Mutation：YES
Non-standard monomer：Yes (specific site not provided by mmCIF)
Mutation：YES
Non-standard monomer：Yes (specific site not provided by mmCIF)
Mutation：YES
Non-standard monomer：Yes (specific site not provided by mmCIF)
Mutation：YES
Non-standard monomer：Yes (specific site not provided by mmCIF)
Mutation：YES
Non-standard monomer：Yes (specific site not provided by mmCIF)
|
ACH ACETYLCHOLINE × 10
CL CHLORIDE ION × 5
PO4 PHOSPHATE ION × 10
MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 7
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
200 MM NH4(H2PO4), 100 MM TRIS PH 8.5 AND 50% MPD.
|
Resolution 2.80 Å
R-free 0.219
|
|
2XZ6
MTSET-modified Y53C mutant of Aplysia AChBP
Deposited 2010-11-23
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain F
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain G
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain H
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain I
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain J
20–236（217 aa）
Fragment：RESIDUES 20-236
|
Mutation：YES
Mutation：YES
Mutation：YES
Mutation：YES
Mutation：YES
|
ETM 2-(TRIMETHYLAMMONIUM)ETHYL THIOL × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
150 MM KSCN, BISTRISPROPANE PH 8.5, 14% PEG 3350.
|
Resolution 3.14 Å
R-free 0.236
|
|
2XZ6
MTSET-modified Y53C mutant of Aplysia AChBP
Deposited 2010-11-23
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain B
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain C
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain D
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain E
20–236（217 aa）
Fragment：RESIDUES 20-236
|
Mutation：YES
Mutation：YES
Mutation：YES
Mutation：YES
Mutation：YES
|
ETM 2-(TRIMETHYLAMMONIUM)ETHYL THIOL × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
150 MM KSCN, BISTRISPROPANE PH 8.5, 14% PEG 3350.
|
Resolution 3.14 Å
R-free 0.236
|
|
2Y54
Fragment growing induces conformational changes in acetylcholine- binding protein: A structural and thermodynamic analysis - (Fragment 1)
Deposited 2011-01-12
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain B
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain C
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain D
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain E
20–236（217 aa）
Fragment：RESIDUES 20-236
|
Not recorded
|
V63 [(1R,5S)-8-AZABICYCLO[3.2.1]OCTAN-3-YL] BENZOATE × 5
SO4 SULFATE ION × 2
CL CHLORIDE ION × 6
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7.5；0.1M MMT PH7.5, 0.9M AMMONIUM SULPHATE
|
Resolution 3.65 Å
R-free 0.217
|
|
2Y56
Fragment growing induces conformational changes in acetylcholine- binding protein: A structural and thermodynamic analysis - (Compound 3)
Deposited 2011-01-12
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain B
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain C
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain D
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain E
20–236（217 aa）
Fragment：RESIDUES 20-236
|
Not recorded
|
V11 [(1S,5R)-8-[(2R)-2-HYDROXY-2-PHENYL-ETHYL]-8-AZABICYCLO[3.2.1]OCTAN-3-YL] BENZOATE × 5
CL CHLORIDE ION × 12
SO4 SULFATE ION × 14
GOL GLYCEROL × 8
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；0.1M MMT PH8.5, 1.1M AMMONIUM SULPHATE
|
Resolution 3.59 Å
R-free 0.203
|
|
2Y57
Fragment growing induces conformational changes in acetylcholine- binding protein: A structural and thermodynamic analysis - (Compound 4)
Deposited 2011-01-12
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain B
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain C
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain D
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain E
20–236（217 aa）
Fragment：RESIDUES 20-236
|
Not recorded
|
V37 [(1R,5S)-8-PHENETHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL] BENZOATE × 5
CL CHLORIDE ION × 5
SO4 SULFATE ION × 8
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8；0.1M MMT PH8.0, 1.3M AMMONIUM SULPHATE
|
Resolution 3.30 Å
R-free 0.193
|
|
2Y58
Fragment growing induces conformational changes in acetylcholine- binding protein: A structural and thermodynamic analysis - (Compound 6)
Deposited 2011-01-12
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain B
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain C
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain D
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain E
20–236（217 aa）
Fragment：RESIDUES 20-236
|
Not recorded
|
V38 [(1R,5S)-8-[(2R)-2-HYDROXY-2-PHENYL-ETHYL]-8-METHYL-8-AZONIABICYCLO[3.2.1]OCTAN-3-YL] BENZOATE × 5
CL CHLORIDE ION × 6
SO4 SULFATE ION × 4
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；0.1M MMT PH 7.0, 1.4M AMMONIUM SULPHATE
|
Resolution 3.25 Å
R-free 0.198
|
|
2Y7Y
APLYSIA CALIFORNICA ACHBP IN APO STATE
Deposited 2011-02-02
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain B
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain C
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain D
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain E
20–236（217 aa）
Fragment：RESIDUES 20-236
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
mmCIF provides none of the parsed conditions
|
Resolution 1.90 Å
R-free 0.227
|
|
2YMD
Crystal structure of a mutant binding protein (5HTBP-AChBP) in complex with serotonin (5-hydroxytryptamine)
Deposited 2012-10-09
|
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
20–231（212 aa）
Fragment：ACETYLCHOLINE BINDING DOMAIN, RESIDUES 20-231
Chain B
20–231（212 aa）
Fragment：ACETYLCHOLINE BINDING DOMAIN, RESIDUES 20-231
Chain C
20–231（212 aa）
Fragment：ACETYLCHOLINE BINDING DOMAIN, RESIDUES 20-231
Chain D
20–231（212 aa）
Fragment：ACETYLCHOLINE BINDING DOMAIN, RESIDUES 20-231
Chain E
20–231（212 aa）
Fragment：ACETYLCHOLINE BINDING DOMAIN, RESIDUES 20-231
Chain F
20–231（212 aa）
Fragment：ACETYLCHOLINE BINDING DOMAIN, RESIDUES 20-231
Chain G
20–231（212 aa）
Fragment：ACETYLCHOLINE BINDING DOMAIN, RESIDUES 20-231
Chain H
20–231（212 aa）
Fragment：ACETYLCHOLINE BINDING DOMAIN, RESIDUES 20-231
Chain I
20–231（212 aa）
Fragment：ACETYLCHOLINE BINDING DOMAIN, RESIDUES 20-231
Chain J
20–231（212 aa）
Fragment：ACETYLCHOLINE BINDING DOMAIN, RESIDUES 20-231
|
Mutation：YES
Mutation：YES
Mutation：YES
Mutation：YES
Mutation：YES
Mutation：YES
Mutation：YES
Mutation：YES
Mutation：YES
Mutation：YES
|
SRO SEROTONIN × 10
GOL GLYCEROL × 14
PO4 PHOSPHATE ION × 10
|
X-RAY DIFFRACTION
X-ray crystallization conditions
400 MM (NH4)H2PO4
|
Resolution 1.96 Å
R-free 0.201
|
|
2YMD
Crystal structure of a mutant binding protein (5HTBP-AChBP) in complex with serotonin (5-hydroxytryptamine)
Deposited 2012-10-09
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
20–231（212 aa）
Fragment：ACETYLCHOLINE BINDING DOMAIN, RESIDUES 20-231
Chain B
20–231（212 aa）
Fragment：ACETYLCHOLINE BINDING DOMAIN, RESIDUES 20-231
Chain C
20–231（212 aa）
Fragment：ACETYLCHOLINE BINDING DOMAIN, RESIDUES 20-231
Chain D
20–231（212 aa）
Fragment：ACETYLCHOLINE BINDING DOMAIN, RESIDUES 20-231
Chain E
20–231（212 aa）
Fragment：ACETYLCHOLINE BINDING DOMAIN, RESIDUES 20-231
|
Mutation：YES
Mutation：YES
Mutation：YES
Mutation：YES
Mutation：YES
|
SRO SEROTONIN × 5
GOL GLYCEROL × 9
PO4 PHOSPHATE ION × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
400 MM (NH4)H2PO4
|
Resolution 1.96 Å
R-free 0.201
|
|
2YMD
Crystal structure of a mutant binding protein (5HTBP-AChBP) in complex with serotonin (5-hydroxytryptamine)
Deposited 2012-10-09
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 3
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain F
20–231（212 aa）
Fragment：ACETYLCHOLINE BINDING DOMAIN, RESIDUES 20-231
Chain G
20–231（212 aa）
Fragment：ACETYLCHOLINE BINDING DOMAIN, RESIDUES 20-231
Chain H
20–231（212 aa）
Fragment：ACETYLCHOLINE BINDING DOMAIN, RESIDUES 20-231
Chain I
20–231（212 aa）
Fragment：ACETYLCHOLINE BINDING DOMAIN, RESIDUES 20-231
Chain J
20–231（212 aa）
Fragment：ACETYLCHOLINE BINDING DOMAIN, RESIDUES 20-231
|
Mutation：YES
Mutation：YES
Mutation：YES
Mutation：YES
Mutation：YES
|
SRO SEROTONIN × 5
GOL GLYCEROL × 5
PO4 PHOSPHATE ION × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
400 MM (NH4)H2PO4
|
Resolution 1.96 Å
R-free 0.201
|
|
2YME
Crystal structure of a mutant binding protein (5HTBP-AChBP) in complex with granisetron
Deposited 2012-10-09
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain F
20–224（205 aa）
Fragment：ACETYLCHOLINE BINDING DOMAIN, RESIDUES 20-224
Chain G
20–224（205 aa）
Fragment：ACETYLCHOLINE BINDING DOMAIN, RESIDUES 20-224
Chain H
20–224（205 aa）
Fragment：ACETYLCHOLINE BINDING DOMAIN, RESIDUES 20-224
Chain I
20–224（205 aa）
Fragment：ACETYLCHOLINE BINDING DOMAIN, RESIDUES 20-224
Chain J
20–224（205 aa）
Fragment：ACETYLCHOLINE BINDING DOMAIN, RESIDUES 20-224
|
Mutation：YES
Mutation：YES
Mutation：YES
Mutation：YES
Mutation：YES
|
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4
CWB 1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide × 5
PO4 PHOSPHATE ION × 2
NA SODIUM ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
200 MM NA2SO4, BISTRISPROPANE PH 8.5, 18% PEG3350.
|
Resolution 2.40 Å
R-free 0.226
|
|
2YME
Crystal structure of a mutant binding protein (5HTBP-AChBP) in complex with granisetron
Deposited 2012-10-09
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
20–224（205 aa）
Fragment：ACETYLCHOLINE BINDING DOMAIN, RESIDUES 20-224
Chain B
20–224（205 aa）
Fragment：ACETYLCHOLINE BINDING DOMAIN, RESIDUES 20-224
Chain C
20–224（205 aa）
Fragment：ACETYLCHOLINE BINDING DOMAIN, RESIDUES 20-224
Chain D
20–224（205 aa）
Fragment：ACETYLCHOLINE BINDING DOMAIN, RESIDUES 20-224
Chain E
20–224（205 aa）
Fragment：ACETYLCHOLINE BINDING DOMAIN, RESIDUES 20-224
|
Mutation：YES
Mutation：YES
Mutation：YES
Mutation：YES
Mutation：YES
|
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5
CWB 1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide × 5
PO4 PHOSPHATE ION × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
200 MM NA2SO4, BISTRISPROPANE PH 8.5, 18% PEG3350.
|
Resolution 2.40 Å
R-free 0.226
|
|
3C79
Crystal structure of Aplysia californica AChBP in complex with the neonicotinoid imidacloprid
Deposited 2008-02-06
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
18–236（219 aa）
Chain B
18–236（219 aa）
Chain C
18–236（219 aa）
Chain D
18–236（219 aa）
Chain E
18–236（219 aa）
|
Not recorded
|
IM4 (2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine × 4
IPA ISOPROPYL ALCOHOL × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；22% isopropanol, 0.2M magnesium chloride, 0.1 M Hepes pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.48 Å
R-free 0.250
|
|
3C84
Crystal structure of a complex of AChBP from aplysia californica and the neonicotinoid thiacloprid
Deposited 2008-02-08
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
18–236（219 aa）
Chain B
18–236（219 aa）
Chain C
18–236（219 aa）
Chain D
18–236（219 aa）
Chain E
18–236（219 aa）
|
Not recorded
|
TH4 {(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide × 4
IPA ISOPROPYL ALCOHOL × 7
MG MAGNESIUM ION × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；30% isopropanol, 0.2M magnesium chloride, 0.1M HEPES pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.94 Å
R-free 0.215
|
|
3GUA
Sulfates bound in the vestibule of AChBP
Deposited 2009-03-28
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
18–225（208 aa）
Fragment：sequence database residues 18-225
Chain B
18–225（208 aa）
Fragment：sequence database residues 18-225
Chain C
18–225（208 aa）
Fragment：sequence database residues 18-225
Chain D
18–225（208 aa）
Fragment：sequence database residues 18-225
Chain E
18–225（208 aa）
Fragment：sequence database residues 18-225
|
Not recorded
|
SO4 SULFATE ION × 12
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；.1 ul protein (10mg/ml tris buffered saline) and .1ul reservoir solution (1.26M ammonium sulfate, and 0.1M cacodylate), pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
|
Resolution 3.10 Å
R-free 0.250
|
|
3GUA
Sulfates bound in the vestibule of AChBP
Deposited 2009-03-28
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain F
18–225（208 aa）
Fragment：sequence database residues 18-225
Chain G
18–225（208 aa）
Fragment：sequence database residues 18-225
Chain H
18–225（208 aa）
Fragment：sequence database residues 18-225
Chain I
18–225（208 aa）
Fragment：sequence database residues 18-225
Chain J
18–225（208 aa）
Fragment：sequence database residues 18-225
|
Not recorded
|
SO4 SULFATE ION × 9
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；.1 ul protein (10mg/ml tris buffered saline) and .1ul reservoir solution (1.26M ammonium sulfate, and 0.1M cacodylate), pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
|
Resolution 3.10 Å
R-free 0.250
|
|
3PEO
Crystal structure of acetylcholine binding protein complexed with metocurine
Deposited 2010-10-27
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
18–236（219 aa）
Chain B
18–236（219 aa）
Chain C
18–236（219 aa）
Chain D
18–236（219 aa）
Chain E
18–236（219 aa）
|
Not recorded
|
CU9 6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium × 4
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；295 K；10% PEG 4000, 0.25M magnesium chloride, 0.1M Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K
|
Resolution 2.10 Å
R-free 0.255
|
|
3PEO
Crystal structure of acetylcholine binding protein complexed with metocurine
Deposited 2010-10-27
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain F
18–236（219 aa）
Chain G
18–236（219 aa）
Chain H
18–236（219 aa）
Chain I
18–236（219 aa）
Chain J
18–236（219 aa）
|
Not recorded
|
CU9 6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium × 4
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；295 K；10% PEG 4000, 0.25M magnesium chloride, 0.1M Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K
|
Resolution 2.10 Å
R-free 0.255
|
|
3PMZ
Crystal Structure of the Complex of Acetylcholine Binding Protein and d-tubocurarine
Deposited 2010-11-18
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
18–236（219 aa）
Fragment：UNP Residues 18-228
Chain B
18–236（219 aa）
Fragment：UNP Residues 18-228
Chain C
18–236（219 aa）
Fragment：UNP Residues 18-228
Chain D
18–236（219 aa）
Fragment：UNP Residues 18-228
Chain E
18–236（219 aa）
Fragment：UNP Residues 18-228
|
Not recorded
|
MG MAGNESIUM ION × 10
TUB (1beta,1'alpha)-7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraran-2'-ium × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8；295 K；10% PEG 4000, 0.25M magnesium chloride, 0.1M Tris buffer pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K
|
Resolution 2.44 Å
R-free 0.294
|
|
3PMZ
Crystal Structure of the Complex of Acetylcholine Binding Protein and d-tubocurarine
Deposited 2010-11-18
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain F
18–236（219 aa）
Fragment：UNP Residues 18-228
Chain G
18–236（219 aa）
Fragment：UNP Residues 18-228
Chain H
18–236（219 aa）
Fragment：UNP Residues 18-228
Chain I
18–236（219 aa）
Fragment：UNP Residues 18-228
Chain J
18–236（219 aa）
Fragment：UNP Residues 18-228
|
Not recorded
|
MG MAGNESIUM ION × 6
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8；295 K；10% PEG 4000, 0.25M magnesium chloride, 0.1M Tris buffer pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K
|
Resolution 2.44 Å
R-free 0.294
|
|
3SH1
Ac-AChBP ligand binding domain mutated to human alpha-7 nAChR
Deposited 2011-06-15
|
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
18–236（219 aa）
Fragment：unp entry 18-236
Chain B
18–236（219 aa）
Fragment：unp entry 18-236
Chain C
18–236（219 aa）
Fragment：unp entry 18-236
Chain D
18–236（219 aa）
Fragment：unp entry 18-236
Chain E
18–236（219 aa）
Fragment：unp entry 18-236
|
Not recorded
|
MG MAGNESIUM ION × 4
MLK METHYLLYCACONITINE × 5
MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 4
MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 3
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；290 K；30%MPD, 0.1M Na Cacodylate, 0.2M Magnesium Acetate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K
|
Resolution 2.90 Å
R-free 0.258
|
|
3SH1
Ac-AChBP ligand binding domain mutated to human alpha-7 nAChR
Deposited 2011-06-15
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Other combination
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain F
18–236（219 aa）
Fragment：unp entry 18-236
Chain G
18–236（219 aa）
Fragment：unp entry 18-236
Chain H
18–236（219 aa）
Fragment：unp entry 18-236
Chain I
18–236（219 aa）
Fragment：unp entry 18-236
Chain J
18–236（219 aa）
Fragment：unp entry 18-236
|
Not recorded
|
MG MAGNESIUM ION × 1
MLK METHYLLYCACONITINE × 5
MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1
MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 4
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3
ACT ACETATE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；290 K；30%MPD, 0.1M Na Cacodylate, 0.2M Magnesium Acetate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K
|
Resolution 2.90 Å
R-free 0.258
|
|
3SIO
Ac-AChBP ligand binding domain (not including beta 9-10 linker) mutated to human alpha-7 nAChR
Deposited 2011-06-19
|
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
18–236（219 aa）
Fragment：unp entry 18-236
Chain B
18–236（219 aa）
Fragment：unp entry 18-236
Chain C
18–236（219 aa）
Fragment：unp entry 18-236
Chain D
18–236（219 aa）
Fragment：unp entry 18-236
Chain E
18–236（219 aa）
Fragment：unp entry 18-236
|
Not recorded
|
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3
MLK METHYLLYCACONITINE × 5
MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 4
MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 4.6；298 K；0.1M Sodium Acetate, 0.02M Calcium Chloride, 30% 2-Methyl-2,4-Pentanediol, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.32 Å
R-free 0.230
|
|
3SIO
Ac-AChBP ligand binding domain (not including beta 9-10 linker) mutated to human alpha-7 nAChR
Deposited 2011-06-19
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Other combination
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain F
18–236（219 aa）
Fragment：unp entry 18-236
Chain G
18–236（219 aa）
Fragment：unp entry 18-236
Chain H
18–236（219 aa）
Fragment：unp entry 18-236
Chain I
18–236（219 aa）
Fragment：unp entry 18-236
Chain J
18–236（219 aa）
Fragment：unp entry 18-236
|
Not recorded
|
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4
MLK METHYLLYCACONITINE × 5
MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 3
MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 4.6；298 K；0.1M Sodium Acetate, 0.02M Calcium Chloride, 30% 2-Methyl-2,4-Pentanediol, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.32 Å
R-free 0.230
|
|
3T4M
Ac-AChBP ligand binding domain mutated to human alpha-7 nAChR (intermediate)
Deposited 2011-07-26
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
18–236（219 aa）
Fragment：unp residues 18-236
Chain B
18–236（219 aa）
Fragment：unp residues 18-236
Chain C
18–236（219 aa）
Fragment：unp residues 18-236
Chain D
18–236（219 aa）
Fragment：unp residues 18-236
Chain E
18–236（219 aa）
Fragment：unp residues 18-236
|
Not recorded
|
CA CALCIUM ION × 5
MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 4
MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；290 K；0.1M sodium acetate, 0.02M calcium chloride, 30% 2-methyl-2,4-pentanediol, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 290K
|
Resolution 3.00 Å
R-free 0.240
|
|
3T4M
Ac-AChBP ligand binding domain mutated to human alpha-7 nAChR (intermediate)
Deposited 2011-07-26
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain F
18–236（219 aa）
Fragment：unp residues 18-236
Chain G
18–236（219 aa）
Fragment：unp residues 18-236
Chain H
18–236（219 aa）
Fragment：unp residues 18-236
Chain I
18–236（219 aa）
Fragment：unp residues 18-236
Chain J
18–236（219 aa）
Fragment：unp residues 18-236
|
Not recorded
|
CA CALCIUM ION × 4
MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 5
MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；290 K；0.1M sodium acetate, 0.02M calcium chloride, 30% 2-methyl-2,4-pentanediol, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 290K
|
Resolution 3.00 Å
R-free 0.240
|
|
4AFT
Aplysia californica AChBP in complex with Varenicline
Deposited 2012-01-23
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain B
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain C
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain D
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain E
20–236（217 aa）
Fragment：RESIDUES 20-236
|
Not recorded
|
QMR VARENICLINE × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；0.6-1.2 M AMMONIUM SULPHATE, 0.1 M MMT PH 6.5-8.5
|
Resolution 3.20 Å
R-free 0.213
|
|
4BFQ
Assembly of a triple pi-stack of ligands in the binding site of Aplysia californica acetylcholine binding protein (AChBP)
Deposited 2013-03-21
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
20–236（217 aa）
Chain B
20–236（217 aa）
Chain C
20–236（217 aa）
Chain D
20–236（217 aa）
Chain E
20–236（217 aa）
|
Not recorded
|
083 4,6-dimethyl-N'-(3-pyridin-2-ylisoquinolin-1-yl)pyrimidine-2-carboximidamide × 14
GOL GLYCEROL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 8；292 K；THE VUF9432-AC-ACHBP COMPLEX WAS FORMED BY MIXING THE PROTEIN AT 3.5 MG/ML WITH 1MM VUF9432 AND INCUBATING ON ICE FOR 1 HOUR. CRYSTALS WERE GROWN USING THE VAPOUR DIFFUSION METHOD IN A SOLUTION CONSISTING OF 0.2M LISO4, 0.8M AMMONIUM SULPHATE IN MMT BUFFER (PH 8.0) AND 19 DEGREES C
|
Resolution 2.40 Å
R-free 0.247
|
|
4BQT
Aplysia californica AChBP in complex with Cytisine
Deposited 2013-06-02
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain B
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain C
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain D
20–236（217 aa）
Fragment：RESIDUES 20-236
Chain E
20–236（217 aa）
Fragment：RESIDUES 20-236
|
Not recorded
|
C5E (1R,5S)-1,2,3,4,5,6-HEXAHYDRO-8H-1,5-METHANOPYRIDO[1,2-A][1,5]DIAZOCIN-8-ONE × 5
CL CHLORIDE ION × 11
CO COBALT (II) ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；0.6-1.2 M AMMONIUM SULPHATE, 0.1 M MMT PH 6.5-8.5
|
Resolution 2.88 Å
R-free 0.224
|
|
4DBM
Aplysia californica-AChBP in complex with triazole 18
Deposited 2012-01-16
|
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
18–236（219 aa）
Chain B
18–236（219 aa）
Chain C
18–236（219 aa）
Chain D
18–236（219 aa）
Chain E
18–236（219 aa）
|
Not recorded
|
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1
0J0 (3-exo)-8,8-dimethyl-3-(4-{[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]methyl}-1H-1,2,3-triazol-1-yl)-8-azoniabicyclo[3.2.1]octane × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8；295 K；0.1M Tris-HCl, 0.25M magnesium chloride, 12% (w/v) PEG 4000, 10% (v/v) glycerol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 2.30 Å
R-free 0.252
|
|
4EZ1
Crystal structure of acetylcholine binding protein (AChBP) from Aplysia Californica in complex with alpha-conotoxin BuIA
Deposited 2012-05-02
|
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
18–236（219 aa）
Fragment：UNP residues 18-236
Chain B
18–236（219 aa）
Fragment：UNP residues 18-236
Chain C
18–236（219 aa）
Fragment：UNP residues 18-236
Chain D
18–236（219 aa）
Fragment：UNP residues 18-236
Chain E
18–236（219 aa）
Fragment：UNP residues 18-236
|
Not recorded
|
MN MANGANESE (II) ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；295 K；0.1 M Tris-HCl, 0.25 M magnesium chloride, 20% w/v PEG4000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 2.49 Å
R-free 0.227
|
|
4FRR
X-ray structure of Acetylcholine binding protein from Aplysia californica in presence of 3-((S)-azetidin-2-ylmethoxy)-5-((1S,2R)-2-(2-methoxyethyl)cyclopropyl)pyridine
Deposited 2012-06-26
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
18–225（208 aa）
Fragment：UNP residues 18-225
Chain B
18–225（208 aa）
Fragment：UNP residues 18-225
Chain C
18–225（208 aa）
Fragment：UNP residues 18-225
Chain D
18–225（208 aa）
Fragment：UNP residues 18-225
Chain E
18–225（208 aa）
Fragment：UNP residues 18-225
|
Not recorded
|
0VC 3-[(2S)-azetidin-2-ylmethoxy]-5-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]pyridine × 3
GOL GLYCEROL × 15
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1M Tris HCl,7.5, 15% PEG 4000 and 0.2M MgCl2 . , VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.20 Å
R-free 0.246
|
|
4FRR
X-ray structure of Acetylcholine binding protein from Aplysia californica in presence of 3-((S)-azetidin-2-ylmethoxy)-5-((1S,2R)-2-(2-methoxyethyl)cyclopropyl)pyridine
Deposited 2012-06-26
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain F
18–225（208 aa）
Fragment：UNP residues 18-225
Chain G
18–225（208 aa）
Fragment：UNP residues 18-225
Chain H
18–225（208 aa）
Fragment：UNP residues 18-225
Chain I
18–225（208 aa）
Fragment：UNP residues 18-225
Chain J
18–225（208 aa）
Fragment：UNP residues 18-225
|
Not recorded
|
0VC 3-[(2S)-azetidin-2-ylmethoxy]-5-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]pyridine × 3
GOL GLYCEROL × 11
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1M Tris HCl,7.5, 15% PEG 4000 and 0.2M MgCl2 . , VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.20 Å
R-free 0.246
|
|
4WV9
Crystal structure of acetylcholine binding protein (AChBP) from Aplysia Californica in complex with click chemistry compound (3-exo)-8,8-dimethyl-3-[4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl]-8-azoniabicyclo[3.2.1]octane
Deposited 2014-11-04
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
18–224（207 aa）
Fragment：UNP residues 18-224
Chain B
18–224（207 aa）
Fragment：UNP residues 18-224
Chain C
18–224（207 aa）
Fragment：UNP residues 18-224
Chain D
18–224（207 aa）
Fragment：UNP residues 18-224
Chain E
18–224（207 aa）
Fragment：UNP residues 18-224
|
Not recorded
|
MD4 (3-exo)-8,8-dimethyl-3-[4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl]-8-azoniabicyclo[3.2.1]octane × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.6；297 K；0.1 M Sodium citrate tribasic dihydrate, pH 5.6, 20% v/v 2-Propanol, 20% w/v Polyethylene glycol 4000
|
Resolution 2.00 Å
R-free 0.220
|
|
4XHE
Crystal Structure of A-AChBP in complex with pinnatoxin A
Deposited 2015-01-05
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
18–225（208 aa）
Fragment：UNP residues 18-225
Chain B
18–225（208 aa）
Fragment：UNP residues 18-225
Chain C
18–225（208 aa）
Fragment：UNP residues 18-225
Chain D
18–225（208 aa）
Fragment：UNP residues 18-225
Chain E
18–225（208 aa）
Fragment：UNP residues 18-225
|
Not recorded
|
40P Pinnatoxin A × 5
CA CALCIUM ION × 2
CL CHLORIDE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；18% (w/v) P400, 0.1M Hepes pH 7.5, 0.2M CaCl2, 5% glycerol
|
Resolution 1.90 Å
R-free 0.216
|
|
4XHE
Crystal Structure of A-AChBP in complex with pinnatoxin A
Deposited 2015-01-05
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain F
18–225（208 aa）
Fragment：UNP residues 18-225
Chain G
18–225（208 aa）
Fragment：UNP residues 18-225
Chain H
18–225（208 aa）
Fragment：UNP residues 18-225
Chain I
18–225（208 aa）
Fragment：UNP residues 18-225
Chain J
18–225（208 aa）
Fragment：UNP residues 18-225
|
Not recorded
|
40P Pinnatoxin A × 5
CA CALCIUM ION × 1
CL CHLORIDE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；18% (w/v) P400, 0.1M Hepes pH 7.5, 0.2M CaCl2, 5% glycerol
|
Resolution 1.90 Å
R-free 0.216
|
|
4XK9
Crystal structure of A-AChBP in complex with pinnatoxin G
Deposited 2015-01-10
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
18–236（219 aa）
Fragment：UNP residues 18-236
Chain B
18–236（219 aa）
Fragment：UNP residues 18-236
Chain C
18–236（219 aa）
Fragment：UNP residues 18-236
Chain D
18–236（219 aa）
Fragment：UNP residues 18-236
Chain E
18–236（219 aa）
Fragment：UNP residues 18-236
|
Not recorded
|
41J Pinnatoxin G × 5
CL CHLORIDE ION × 4
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；8% (w/v) P4000, 0.1M Hepes pH 7.5, 0.2M MgCl2
|
Resolution 2.20 Å
R-free 0.211
|
|
4XK9
Crystal structure of A-AChBP in complex with pinnatoxin G
Deposited 2015-01-10
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain F
18–236（219 aa）
Fragment：UNP residues 18-236
Chain G
18–236（219 aa）
Fragment：UNP residues 18-236
Chain H
18–236（219 aa）
Fragment：UNP residues 18-236
Chain I
18–236（219 aa）
Fragment：UNP residues 18-236
Chain J
18–236（219 aa）
Fragment：UNP residues 18-236
|
Not recorded
|
41J Pinnatoxin G × 5
CL CHLORIDE ION × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；8% (w/v) P4000, 0.1M Hepes pH 7.5, 0.2M MgCl2
|
Resolution 2.20 Å
R-free 0.211
|
|
4ZJS
Crystal structure of a chimeric acetylcholine binding protein from Aplysia Californica (Ac-AChBP) containing the main immunogenic region (MIR) from the human alpha 1 subunit of the muscle nicotinic acetylcholine receptor in complex with anatoxin-A.
Deposited 2015-04-29
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Insufficient information
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
48–77（30 aa）
Chain A
99–236（138 aa）
Chain B
48–77（30 aa）
Chain B
99–236（138 aa）
Chain C
48–77（30 aa）
Chain C
99–236（138 aa）
Chain D
48–77（30 aa）
Chain D
99–236（138 aa）
Chain E
48–77（30 aa）
Chain E
99–236（138 aa）
|
Not recorded
|
4P0 1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；297 K；17. 25.5% PEG 4000, 0.085 M Tris HCl pH 8.5, 0.17 M Lithium Sulfate, 15% Glycerol
|
Resolution 2.23 Å
R-free 0.228
|
|
4ZK4
Crystal structure of a chimeric acetylcholine binding protein from Aplysia californica (Ac-AChBP) containing loop C from the human alpha 3 nicotinic acetylcholine receptor in complex with 7-(5-isopropoxy-pyridin-3-yl)-1-methyl-1,7-diaza-spiro[4.4]nonane
Deposited 2015-04-29
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Insufficient information
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
18–198（181 aa）
Fragment：UNP residues 18-198 + 215-236 from Aplysia californica linked by loop C (UNP residues 215-230) from Homo sapiens
Chain A
215–236（22 aa）
Fragment：UNP residues 18-198 + 215-236 from Aplysia californica linked by loop C (UNP residues 215-230) from Homo sapiens
Chain B
18–198（181 aa）
Fragment：UNP residues 18-198 + 215-236 from Aplysia californica linked by loop C (UNP residues 215-230) from Homo sapiens
Chain B
215–236（22 aa）
Fragment：UNP residues 18-198 + 215-236 from Aplysia californica linked by loop C (UNP residues 215-230) from Homo sapiens
Chain C
18–198（181 aa）
Fragment：UNP residues 18-198 + 215-236 from Aplysia californica linked by loop C (UNP residues 215-230) from Homo sapiens
Chain C
215–236（22 aa）
Fragment：UNP residues 18-198 + 215-236 from Aplysia californica linked by loop C (UNP residues 215-230) from Homo sapiens
Chain D
18–198（181 aa）
Fragment：UNP residues 18-198 + 215-236 from Aplysia californica linked by loop C (UNP residues 215-230) from Homo sapiens
Chain D
215–236（22 aa）
Fragment：UNP residues 18-198 + 215-236 from Aplysia californica linked by loop C (UNP residues 215-230) from Homo sapiens
Chain E
18–198（181 aa）
Fragment：UNP residues 18-198 + 215-236 from Aplysia californica linked by loop C (UNP residues 215-230) from Homo sapiens
Chain E
215–236（22 aa）
Fragment：UNP residues 18-198 + 215-236 from Aplysia californica linked by loop C (UNP residues 215-230) from Homo sapiens
|
Not recorded
|
MG MAGNESIUM ION × 2
SO4 SULFATE ION × 5
PG4 TETRAETHYLENE GLYCOL × 1
TII (5R)-1-methyl-7-[5-(propan-2-yloxy)pyridin-3-yl]-1,7-diazaspiro[4.4]nonane × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；1.7% PEG400, 0.085 M HEPES sodium, pH 7.5, 1.7 M ammonium sulfate, 15% glycerol
|
Resolution 1.90 Å
R-free 0.212
|
|
5AIN
Varenicline Interactions at the 5HT3 Receptor Ligand Binding Site are Revealed by 5HTBP
Deposited 2015-02-16
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
20–231（212 aa）
Fragment：SEROTONIN BINDING PROTEIN, UNP RESIDUES 20-231
Chain B
20–231（212 aa）
Fragment：SEROTONIN BINDING PROTEIN, UNP RESIDUES 20-231
Chain C
20–231（212 aa）
Fragment：SEROTONIN BINDING PROTEIN, UNP RESIDUES 20-231
Chain D
20–231（212 aa）
Fragment：SEROTONIN BINDING PROTEIN, UNP RESIDUES 20-231
Chain E
20–231（212 aa）
Fragment：SEROTONIN BINDING PROTEIN, UNP RESIDUES 20-231
|
Not recorded
|
QMR VARENICLINE × 5
|
X-RAY DIFFRACTION
mmCIF provides none of the parsed conditions
|
Resolution 2.30 Å
R-free 0.224
|
|
5BRX
X-ray crystal structure of Aplysia californica (Ac-AChBP) in complex with 2-pyridyl azatricyclo[3.3.1.13,7]decane; 2-pyridylazaadamantane; 2-Aza (TI-8480)
Deposited 2015-06-01
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
18–236（219 aa）
Fragment：UNP residues 18-236
Chain B
18–236（219 aa）
Fragment：UNP residues 18-236
Chain C
18–236（219 aa）
Fragment：UNP residues 18-236
Chain D
18–236（219 aa）
Fragment：UNP residues 18-236
Chain E
18–236（219 aa）
Fragment：UNP residues 18-236
|
Mutation：Y55W
Mutation：Y55W
Mutation：Y55W
Mutation：Y55W
Mutation：Y55W
|
SO4 SULFATE ION × 5
TI4 (2R,3S,5R,7S)-2-(pyridin-3-yl)-1-azatricyclo[3.3.1.1~3,7~]decane × 2
PG4 TETRAETHYLENE GLYCOL × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；1.7% PEG 400, 0.085 M HEPES - Na pH 7.5, 1.7 M Ammonium Sulfate, 15% Glycerol
|
Resolution 2.05 Å
R-free 0.235
|
|
5BRX
X-ray crystal structure of Aplysia californica (Ac-AChBP) in complex with 2-pyridyl azatricyclo[3.3.1.13,7]decane; 2-pyridylazaadamantane; 2-Aza (TI-8480)
Deposited 2015-06-01
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain F
18–236（219 aa）
Fragment：UNP residues 18-236
Chain G
18–236（219 aa）
Fragment：UNP residues 18-236
Chain H
18–236（219 aa）
Fragment：UNP residues 18-236
Chain I
18–236（219 aa）
Fragment：UNP residues 18-236
Chain J
18–236（219 aa）
Fragment：UNP residues 18-236
|
Mutation：Y55W
Mutation：Y55W
Mutation：Y55W
Mutation：Y55W
Mutation：Y55W
|
SO4 SULFATE ION × 5
TI4 (2R,3S,5R,7S)-2-(pyridin-3-yl)-1-azatricyclo[3.3.1.1~3,7~]decane × 2
PG4 TETRAETHYLENE GLYCOL × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；1.7% PEG 400, 0.085 M HEPES - Na pH 7.5, 1.7 M Ammonium Sulfate, 15% Glycerol
|
Resolution 2.05 Å
R-free 0.235
|
|
5BW2
X-ray crystal structure of Aplysia californica acetylcholine binding protein (Ac-AChBP) Y55W in complex with 2-Pyridin-3-yl-1-aza-bicyclo[2.2.2]octane; 2-(3-pyridyl)quinuclidine; 2-PQ (TI-4699)
Deposited 2015-06-05
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
18–236（219 aa）
Fragment：UNP residues 18-236
Chain B
18–236（219 aa）
Fragment：UNP residues 18-236
Chain C
18–236（219 aa）
Fragment：UNP residues 18-236
Chain D
18–236（219 aa）
Fragment：UNP residues 18-236
Chain E
18–236（219 aa）
Fragment：UNP residues 18-236
|
Mutation：Y55W
Mutation：Y55W
Mutation：Y55W
Mutation：Y55W
Mutation：Y55W
|
4VU (2R)-2-(pyridin-3-yl)-1-azabicyclo[2.2.2]octane × 4
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；1.7% PEG 400, 0.085 M HEPES - Na pH 7.5, 1.7 M Ammonium Sulfate, 15% Glycerol
|
Resolution 2.27 Å
R-free 0.222
|
|
5CO5
Crystal structure of Ac-AChBP in complex with conotoxin GIC
Deposited 2015-07-19
|
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
1–236（236 aa）
Chain B
1–236（236 aa）
Chain D
1–236（236 aa）
Chain G
1–236（236 aa）
Chain I
1–236（236 aa）
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；291 K；1.5M lithium sulfate monohydrate, 0.1M Tris pH 8.5
|
Resolution 2.10 Å
R-free 0.221
|
|
5JME
Crystal structure of acetylcholine binding protein (AChBP) from Aplysia Californica in complex with alpha-conotoxin PeIA
Deposited 2016-04-28
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 9
PDB declaration: nonameric
|
Chain A
18–236（219 aa）
Fragment：UNP residues 18-236
Chain B
18–236（219 aa）
Fragment：UNP residues 18-236
Chain C
18–236（219 aa）
Fragment：UNP residues 18-236
Chain D
18–236（219 aa）
Fragment：UNP residues 18-236
Chain E
18–236（219 aa）
Fragment：UNP residues 18-236
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；290 K；0.1 M Tris-HCl, 0.25 M magnesium chloride, 20% w/v PEG4000
|
Resolution 2.34 Å
R-free 0.229
|
|
5KE4
Crystal structure of a chimeric acetylcholine binding protein from Aplysia californica (Ac-AChBP) containing loop C from the human alpha 6 nicotinic acetylcholine receptor in complex with 2-((5-(3,7-Diazabicyclo[3.3.1]nonan-3-yl)pyridin-3-yl)oxy)- N,N-dimethylethanamine (BPC)
Deposited 2016-06-09
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
18–236（219 aa）
Fragment：UNP residues 18-236
Chain B
18–236（219 aa）
Fragment：UNP residues 18-236
Chain C
18–236（219 aa）
Fragment：UNP residues 18-236
Chain D
18–236（219 aa）
Fragment：UNP residues 18-236
Chain E
18–236（219 aa）
Fragment：UNP residues 18-236
|
Not recorded
|
6S7 2-((5-(3,7-Diazabicyclo[3.3.1]nonan-3-yl)pyridin-3-yl)oxy)-N,N-dimethylethanamine × 4
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；30% PEG 400, 0.1 M HEPES - Na pH 7.5, 0.2 M Magnesium Chloride
|
Resolution 2.55 Å
R-free 0.235
|
|
5KZU
Crystal structure of an acetylcholine binding protein from Aplysia californica (Ac-AChBP) in complex with click chemistry compound 9-[[1-[8-methyl-8-(2-phenylethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]carbazole
Deposited 2016-07-25
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
18–236（219 aa）
Fragment：UNP residues 16-236
Chain B
18–236（219 aa）
Fragment：UNP residues 16-236
Chain C
18–236（219 aa）
Fragment：UNP residues 16-236
Chain D
18–236（219 aa）
Fragment：UNP residues 16-236
Chain E
18–236（219 aa）
Fragment：UNP residues 16-236
|
Not recorded
|
SO4 SULFATE ION × 5
PG4 TETRAETHYLENE GLYCOL × 2
74S 9-[[1-[8-methyl-8-(2-phenylethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]triazol-4-yl]methyl]carbazole × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；290 K；1.7% PEG 400, 0.085 M HEPES - Na pH 7.5, 1.7 M Ammonium Sulfate, 15% Glycerol
|
Resolution 2.30 Å
R-free 0.229
|
|
5LXB
Crystal structure of a mutant binding protein (5HTBP-AChBP) in complex with palonosetron
Deposited 2016-09-20
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
1–236（236 aa）
Chain B
1–236（236 aa）
Chain C
1–236（236 aa）
Chain D
1–236（236 aa）
Chain E
1–236（236 aa）
|
Not recorded
|
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4
7A9 palonosetron × 4
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；200 mM sodium 265 citrate, 100 mM bis tris propane pH 8.5, and 20% (w/v) PEG3350.
|
Resolution 2.34 Å
R-free 0.245
|
|
5LXB
Crystal structure of a mutant binding protein (5HTBP-AChBP) in complex with palonosetron
Deposited 2016-09-20
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain F
1–236（236 aa）
Chain G
1–236（236 aa）
Chain H
1–236（236 aa）
Chain I
1–236（236 aa）
Chain J
1–236（236 aa）
|
Not recorded
|
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4
7A9 palonosetron × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；200 mM sodium 265 citrate, 100 mM bis tris propane pH 8.5, and 20% (w/v) PEG3350.
|
Resolution 2.34 Å
R-free 0.245
|
|
5O87
Crystal structure of wild type Aplysia californica AChBP in complex with nicotine
Deposited 2017-06-12
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
1–236（236 aa）
Chain B
1–236（236 aa）
Chain C
1–236（236 aa）
Chain D
1–236（236 aa）
Chain E
1–236（236 aa）
|
Not recorded
|
NCT (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE × 5
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5
EDO 1,2-ETHANEDIOL × 22
PO4 PHOSPHATE ION × 10
IPA ISOPROPYL ALCOHOL × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.45 M ammonium phosphate monobasic
2 % glycerol
2 % IPA
|
Resolution 2.20 Å
R-free 0.235
|
|
5O87
Crystal structure of wild type Aplysia californica AChBP in complex with nicotine
Deposited 2017-06-12
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain F
1–236（236 aa）
Chain G
1–236（236 aa）
Chain H
1–236（236 aa）
Chain I
1–236（236 aa）
Chain J
1–236（236 aa）
|
Not recorded
|
NCT (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE × 5
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5
EDO 1,2-ETHANEDIOL × 20
PO4 PHOSPHATE ION × 10
IPA ISOPROPYL ALCOHOL × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.45 M ammonium phosphate monobasic
2 % glycerol
2 % IPA
|
Resolution 2.20 Å
R-free 0.235
|
|
5O8T
Crystal structure of wild type Aplysia californica AChBP in complex with strychnine
Deposited 2017-06-14
|
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
1–236（236 aa）
Chain B
1–236（236 aa）
Chain C
1–236（236 aa）
Chain D
1–236（236 aa）
Chain E
1–236（236 aa）
|
Not recorded
|
SY9 STRYCHNINE × 5
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；Reservoir contained 0.1 M magnesium chloride, 25% PEG 3350. Protein buffer 50 mm tris, 250 mM NaCl, pH 7.5. 0.5 mM strychnine
|
Resolution 2.20 Å
R-free 0.229
|
|
5OA0
Crystal structure of mutant AChBP in complex with strychnine (T53F, Q74R, Y110A, I135S, W164F)
Deposited 2017-06-20
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
1–236（236 aa）
Chain B
1–236（236 aa）
Chain C
1–236（236 aa）
Chain D
1–236（236 aa）
Chain E
1–236（236 aa）
|
Mutation：T53F, Q74R, Y110A, I135S, W164F
Mutation：T53F, Q74R, Y110A, I135S, W164F
Mutation：T53F, Q74R, Y110A, I135S, W164F
Mutation：T53F, Q74R, Y110A, I135S, W164F
Mutation：T53F, Q74R, Y110A, I135S, W164F
|
SY9 STRYCHNINE × 5
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2
EDO 1,2-ETHANEDIOL × 12
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；Rservoir contained .0.1 M MgCl2, 25% PEG 3350. Protein buffer 50 mM tris, 250 mM NaCl, 0.5 mM strychnine. Cryo 30 % glycerol
|
Resolution 2.60 Å
R-free 0.227
|
|
5OAD
Crystal structure of mutant AChBP in complex with HEPES (T53F, Q74R, Y110A, I135S, G162E)
Deposited 2017-06-21
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
1–236（236 aa）
Chain B
1–236（236 aa）
Chain C
1–236（236 aa）
Chain D
1–236（236 aa）
Chain E
1–236（236 aa）
|
Mutation：T53F, Q74R, Y110A, I135S, G162E
Mutation：T53F, Q74R, Y110A, I135S, G162E
Mutation：T53F, Q74R, Y110A, I135S, G162E
Mutation：T53F, Q74R, Y110A, I135S, G162E
Mutation：T53F, Q74R, Y110A, I135S, G162E
|
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4
EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 3
EDO 1,2-ETHANEDIOL × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；reservoir condition: 0.1 M HEPES pH 8, 25% PEG 2k MME
Protein buffer: 50 mM tris, 250 mM NaCl, pH 7.5, 5mM tropisetron
|
Resolution 2.10 Å
R-free 0.255
|
|
5OAJ
Crystal structure of mutant AChBP in complex with tropisetron (T53F, Q74R, Y110A, I135S, G162E)
Deposited 2017-06-22
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
1–236（236 aa）
Chain B
1–236（236 aa）
Chain C
1–236（236 aa）
Chain D
1–236（236 aa）
Chain E
1–236（236 aa）
|
Mutation：T53F, Q74R, Y110A, I135S, G162E
Mutation：T53F, Q74R, Y110A, I135S, G162E
Mutation：T53F, Q74R, Y110A, I135S, G162E
Mutation：T53F, Q74R, Y110A, I135S, G162E
Mutation：T53F, Q74R, Y110A, I135S, G162E
|
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2
EDO 1,2-ETHANEDIOL × 20
FLC CITRATE ANION × 1
TKT (3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-INDOLE-3-CARBOXYLATE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；Reservoir condition: 20% PEG3350, 0.2 M Na citrate.
Protein buffer: 50 mM tris, 250 mM NaCl, pH 7.5, 5 mM tropisetron
|
Resolution 2.47 Å
R-free 0.208
|
|
5OAJ
Crystal structure of mutant AChBP in complex with tropisetron (T53F, Q74R, Y110A, I135S, G162E)
Deposited 2017-06-22
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain F
1–236（236 aa）
Chain G
1–236（236 aa）
Chain H
1–236（236 aa）
Chain I
1–236（236 aa）
Chain J
1–236（236 aa）
|
Mutation：T53F, Q74R, Y110A, I135S, G162E
Mutation：T53F, Q74R, Y110A, I135S, G162E
Mutation：T53F, Q74R, Y110A, I135S, G162E
Mutation：T53F, Q74R, Y110A, I135S, G162E
Mutation：T53F, Q74R, Y110A, I135S, G162E
|
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2
EDO 1,2-ETHANEDIOL × 22
FLC CITRATE ANION × 2
TKT (3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-INDOLE-3-CARBOXYLATE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；Reservoir condition: 20% PEG3350, 0.2 M Na citrate.
Protein buffer: 50 mM tris, 250 mM NaCl, pH 7.5, 5 mM tropisetron
|
Resolution 2.47 Å
R-free 0.208
|
|
5OAL
Crystal structure of mutant AChBP in complex with strychnine (T53F, Q74R, Y110A, I135S, G162E)
Deposited 2017-06-22
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
1–236（236 aa）
Chain B
1–236（236 aa）
Chain C
1–236（236 aa）
Chain D
1–236（236 aa）
Chain E
1–236（236 aa）
|
Mutation：T53F, Q74R, Y110A, I135S, G162E
Mutation：T53F, Q74R, Y110A, I135S, G162E
Mutation：T53F, Q74R, Y110A, I135S, G162E
Mutation：T53F, Q74R, Y110A, I135S, G162E
Mutation：T53F, Q74R, Y110A, I135S, G162E
|
SY9 STRYCHNINE × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；Reservoir buffer: 20 % PEG3350
0.2 M Mg formate
Protein buffer: 50 mM trism 250 mM NaCl Ph 7.5, 0.5 mM strychnine
|
Resolution 3.20 Å
R-free 0.231
|
|
5OAL
Crystal structure of mutant AChBP in complex with strychnine (T53F, Q74R, Y110A, I135S, G162E)
Deposited 2017-06-22
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain F
1–236（236 aa）
Chain G
1–236（236 aa）
Chain H
1–236（236 aa）
Chain I
1–236（236 aa）
Chain J
1–236（236 aa）
|
Mutation：T53F, Q74R, Y110A, I135S, G162E
Mutation：T53F, Q74R, Y110A, I135S, G162E
Mutation：T53F, Q74R, Y110A, I135S, G162E
Mutation：T53F, Q74R, Y110A, I135S, G162E
Mutation：T53F, Q74R, Y110A, I135S, G162E
|
SY9 STRYCHNINE × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；Reservoir buffer: 20 % PEG3350
0.2 M Mg formate
Protein buffer: 50 mM trism 250 mM NaCl Ph 7.5, 0.5 mM strychnine
|
Resolution 3.20 Å
R-free 0.231
|
|
5OAL
Crystal structure of mutant AChBP in complex with strychnine (T53F, Q74R, Y110A, I135S, G162E)
Deposited 2017-06-22
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 3
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain K
1–236（236 aa）
Chain L
1–236（236 aa）
Chain M
1–236（236 aa）
Chain N
1–236（236 aa）
Chain O
1–236（236 aa）
|
Mutation：T53F, Q74R, Y110A, I135S, G162E
Mutation：T53F, Q74R, Y110A, I135S, G162E
Mutation：T53F, Q74R, Y110A, I135S, G162E
Mutation：T53F, Q74R, Y110A, I135S, G162E
Mutation：T53F, Q74R, Y110A, I135S, G162E
|
SY9 STRYCHNINE × 5
ARG ARGININE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；Reservoir buffer: 20 % PEG3350
0.2 M Mg formate
Protein buffer: 50 mM trism 250 mM NaCl Ph 7.5, 0.5 mM strychnine
|
Resolution 3.20 Å
R-free 0.231
|
|
5OAN
Crystal structure of mutant AChBP in complex with glycine (T53F, Q74R, Y110A, I135S, G162E, S206CCP_KGTG)
Deposited 2017-06-23
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
1–236（236 aa）
Chain B
1–236（236 aa）
Chain C
1–236（236 aa）
Chain D
1–236（236 aa）
Chain E
1–236（236 aa）
|
Mutation：T53F, Q74R, Y110A, I135S, G162E, S206K, C207G, C208T, P209G
Mutation：T53F, Q74R, Y110A, I135S, G162E, S206K, C207G, C208T, P209G
Mutation：T53F, Q74R, Y110A, I135S, G162E, S206K, C207G, C208T, P209G
Mutation：T53F, Q74R, Y110A, I135S, G162E, S206K, C207G, C208T, P209G
Mutation：T53F, Q74R, Y110A, I135S, G162E, S206K, C207G, C208T, P209G
|
CL CHLORIDE ION × 5
ACT ACETATE ION × 5
GLY GLYCINE × 4
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.6；293 K；Reservoir solution:2 M sodium formate, 0.1 M sodium acetate pH 4.6 .
Protein buffer: 50 mM tris, 250 mM NaCl, 0.1 M glycine
|
Resolution 2.60 Å
R-free 0.235
|
|
5OBG
Crystal structure of glycine binding protein in complex with strychnine
Deposited 2017-06-26
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
1–236（236 aa）
Chain B
1–236（236 aa）
Chain C
1–236（236 aa）
Chain D
1–236（236 aa）
Chain E
1–236（236 aa）
|
Not recorded
|
SY9 STRYCHNINE × 5
EDO 1,2-ETHANEDIOL × 31
NA SODIUM ION × 5
ACT ACETATE ION × 9
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；Reservoir buffer: 20 % PEG 3350, 0.2 M MgOAc
Protein buffer: 50 mM tris, 250 mM NaCl, pH 7.5, 0.5 mM strychnine
|
Resolution 2.00 Å
R-free 0.250
|
|
5OBH
Crystal structure of glycine binding protein in complex with bicuculline
Deposited 2017-06-27
|
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
1–236（236 aa）
Chain B
1–236（236 aa）
Chain C
1–236（236 aa）
Chain D
1–236（236 aa）
Chain E
1–236（236 aa）
|
Mutation：T53F, Q74R, Y110A, I135S, G162E, S206K, C207G, C208T, P209G
Mutation：T53F, Q74R, Y110A, I135S, G162E, S206K, C207G, C208T, P209G
Mutation：T53F, Q74R, Y110A, I135S, G162E, S206K, C207G, C208T, P209G
Mutation：T53F, Q74R, Y110A, I135S, G162E, S206K, C207G, C208T, P209G
Mutation：T53F, Q74R, Y110A, I135S, G162E, S206K, C207G, C208T, P209G
|
J94 (5S)-6,6-dimethyl-5-[(6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium × 5
CL CHLORIDE ION × 5
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；Reservoir buffer: 0.2 M ammonium formate, 20 % PEG 3350
Protein buffer: 50 mM tris, 250 mM NaCl, pH 7.5. 2 mM bicuculline
|
Resolution 2.40 Å
R-free 0.249
|
|
5SYO
Crystal structure of a chimeric acetylcholine binding protein from Aplysia californica (Ac-AChBP) containing loop C from the human alpha 3 nicotinic acetylcholine receptor in complex with Cytisine
Deposited 2016-08-11
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Insufficient information
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
18–198（181 aa）
Fragment：UNP residues 18-198 + 215-236 from Aplysia californica linked by loop C (UNP residues 215-230) from Homo sapiens
Chain A
215–236（22 aa）
Fragment：UNP residues 18-198 + 215-236 from Aplysia californica linked by loop C (UNP residues 215-230) from Homo sapiens
Chain B
18–198（181 aa）
Fragment：UNP residues 18-198 + 215-236 from Aplysia californica linked by loop C (UNP residues 215-230) from Homo sapiens
Chain B
215–236（22 aa）
Fragment：UNP residues 18-198 + 215-236 from Aplysia californica linked by loop C (UNP residues 215-230) from Homo sapiens
Chain C
18–198（181 aa）
Fragment：UNP residues 18-198 + 215-236 from Aplysia californica linked by loop C (UNP residues 215-230) from Homo sapiens
Chain C
215–236（22 aa）
Fragment：UNP residues 18-198 + 215-236 from Aplysia californica linked by loop C (UNP residues 215-230) from Homo sapiens
Chain D
18–198（181 aa）
Fragment：UNP residues 18-198 + 215-236 from Aplysia californica linked by loop C (UNP residues 215-230) from Homo sapiens
Chain D
215–236（22 aa）
Fragment：UNP residues 18-198 + 215-236 from Aplysia californica linked by loop C (UNP residues 215-230) from Homo sapiens
Chain E
18–198（181 aa）
Fragment：UNP residues 18-198 + 215-236 from Aplysia californica linked by loop C (UNP residues 215-230) from Homo sapiens
Chain E
215–236（22 aa）
Fragment：UNP residues 18-198 + 215-236 from Aplysia californica linked by loop C (UNP residues 215-230) from Homo sapiens
|
Not recorded
|
C5E (1R,5S)-1,2,3,4,5,6-HEXAHYDRO-8H-1,5-METHANOPYRIDO[1,2-A][1,5]DIAZOCIN-8-ONE × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；1.7% PEG 400, 0.085 M HEPES - Na pH 7.5, 1.7 M Ammonium Sulfate, 15% Glycerol
|
Resolution 2.00 Å
R-free 0.227
|
|
5TSF
Crystal structure of AChBP from Aplysia californica complex with 2-aminopyrimidine at pH 7.0 spacegroup P212121
Deposited 2016-10-28
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
18–236（219 aa）
Chain B
18–236（219 aa）
Chain C
18–236（219 aa）
Chain D
18–236（219 aa）
Chain E
18–236（219 aa）
|
Not recorded
|
7KO 6-chloro-N~4~,N~4~-bis[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine × 5
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；281 K；20% PEG 4000, 0.1M HEPES pH 7.0, 0.15M ammonium sulfate
|
Resolution 2.29 Å
R-free 0.247
|
|
5TVH
Crystal structure of AChBP from Aplysia californica complex with 2-aminopyrimidine at pH 8.0 spacegroup P21
Deposited 2016-11-08
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
18–236（219 aa）
Chain B
18–236（219 aa）
Chain C
18–236（219 aa）
Chain D
18–236（219 aa）
Chain E
18–236（219 aa）
|
Not recorded
|
7KO 6-chloro-N~4~,N~4~-bis[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine × 5
DMS DIMETHYL SULFOXIDE × 4
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；281 K；20% PEG 4000, 0.1M Tris pH 8.0, 0.2M NaCl
|
Resolution 2.40 Å
R-free 0.247
|
|
5XGL
Co-crystal structure of Ac-AChBPP in complex with alpha-conotoxin LvIA
Deposited 2017-04-14
|
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
19–236（218 aa）
Chain B
19–236（218 aa）
Chain D
19–236（218 aa）
Chain G
19–236（218 aa）
Chain I
19–236（218 aa）
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；0.1M Bis-Tris propane PH 7.0
|
Resolution 3.44 Å
R-free 0.283
|
|
6M4X
Co-crystal structure of Ac-AChBPP in complex with [N9A]LvIA
Deposited 2020-03-09
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 10
PDB declaration: decameric
|
Chain A
19–225（207 aa）
Chain B
19–225（207 aa）
Chain D
19–225（207 aa）
Chain G
19–225（207 aa）
Chain I
19–225（207 aa）
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；1.0 M Magnesium sulfate hydrate, 0.1 M Sodium acetate trihydrate (pH 4.6)
|
Resolution 3.00 Å
R-free 0.316
|
|
6M4Z
Co-crystal structure of Ac-AChBPP in complex with alpha-conotoxin [D11A]LvIA
Deposited 2020-03-09
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 10
PDB declaration: decameric
|
Chain A
19–225（207 aa）
Chain B
19–225（207 aa）
Chain D
19–225（207 aa）
Chain G
19–225（207 aa）
Chain I
19–225（207 aa）
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；1.2 M Sodium citrate tribasic dihydrate, 0.1 M BIS-TRIS propane (pH 7.0)
|
Resolution 2.80 Å
R-free 0.268
|
|
6QKK
Aplysia californica AChBP in complex with 2-Fluoro-(carbamoylpyridinyl)deschloroepibatidine analogue (1)
Deposited 2019-01-29
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
1–236（236 aa）
Chain B
1–236（236 aa）
Chain C
1–236（236 aa）
Chain D
1–236（236 aa）
Chain E
1–236（236 aa）
|
Not recorded
|
H92 4-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]benzamide × 5
PO4 PHOSPHATE ION × 5
EDO 1,2-ETHANEDIOL × 20
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2
OXL OXALATE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.2；293 K；Reservoir: 0.2 M NaCl, 0.1 M Phosphate/citrate pH 4.2 12% PEG 8000
Buffer: 50 mM Tris, 250 mM NaCl pH 7.5
Protein concentration 4 mg/ml
Microseeded
|
Resolution 2.20 Å
R-free 0.228
|
|
6QKK
Aplysia californica AChBP in complex with 2-Fluoro-(carbamoylpyridinyl)deschloroepibatidine analogue (1)
Deposited 2019-01-29
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain F
1–236（236 aa）
Chain G
1–236（236 aa）
Chain H
1–236（236 aa）
Chain I
1–236（236 aa）
Chain J
1–236（236 aa）
|
Not recorded
|
H92 4-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]benzamide × 5
PO4 PHOSPHATE ION × 5
EDO 1,2-ETHANEDIOL × 20
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.2；293 K；Reservoir: 0.2 M NaCl, 0.1 M Phosphate/citrate pH 4.2 12% PEG 8000
Buffer: 50 mM Tris, 250 mM NaCl pH 7.5
Protein concentration 4 mg/ml
Microseeded
|
Resolution 2.20 Å
R-free 0.228
|
|
6QQO
Aplysia californica AChBP in complex with 2-Fluoro-(carbamoylpyridinyl)deschloroepibatidine analogue (3)
Deposited 2019-02-18
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
1–236（236 aa）
Chain B
1–236（236 aa）
Chain C
1–236（236 aa）
Chain D
1–236（236 aa）
Chain E
1–236（236 aa）
|
Not recorded
|
JC8 6-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-3-carboxamide × 5
PO4 PHOSPHATE ION × 7
EDO 1,2-ETHANEDIOL × 24
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.2；293 K；Reservoir: 0.2 M NaCl 0.1 M Phosphate/citrate pH 4.2 10% PEG 8000
Buffer: 50 mM Tris 250 mM NaCl
Protein concentration 4 mg/ml
Microseeded
|
Resolution 2.50 Å
R-free 0.212
|
|
6QQO
Aplysia californica AChBP in complex with 2-Fluoro-(carbamoylpyridinyl)deschloroepibatidine analogue (3)
Deposited 2019-02-18
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain F
1–236（236 aa）
Chain G
1–236（236 aa）
Chain H
1–236（236 aa）
Chain I
1–236（236 aa）
Chain J
1–236（236 aa）
|
Not recorded
|
JC8 6-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-3-carboxamide × 5
PO4 PHOSPHATE ION × 8
EDO 1,2-ETHANEDIOL × 18
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.2；293 K；Reservoir: 0.2 M NaCl 0.1 M Phosphate/citrate pH 4.2 10% PEG 8000
Buffer: 50 mM Tris 250 mM NaCl
Protein concentration 4 mg/ml
Microseeded
|
Resolution 2.50 Å
R-free 0.212
|
|
6QQP
Aplysia californica AChBP in complex with 2-Fluoro-(carbamoylpyridinyl)deschloroepibatidine analogue (2)
Deposited 2019-02-18
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
1–236（236 aa）
Chain B
1–236（236 aa）
Chain C
1–236（236 aa）
Chain D
1–236（236 aa）
Chain E
1–236（236 aa）
|
Not recorded
|
JCW 2-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-4-carboxamide × 5
EDO 1,2-ETHANEDIOL × 31
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.2；293 K；Reservoir: 0.2 M NaCl, 0.1 M Phosphate/citrate pH 4.2 8% PEG 8000
Buffer: 50 mM Tris 250 mM NaCl pH 7.5
Protein concentration: 4 mg/ml
Microseeded
|
Resolution 2.40 Å
R-free 0.210
|
|
6QQP
Aplysia californica AChBP in complex with 2-Fluoro-(carbamoylpyridinyl)deschloroepibatidine analogue (2)
Deposited 2019-02-18
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain F
1–236（236 aa）
Chain G
1–236（236 aa）
Chain H
1–236（236 aa）
Chain I
1–236（236 aa）
Chain J
1–236（236 aa）
|
Not recorded
|
JCW 2-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-4-carboxamide × 5
EDO 1,2-ETHANEDIOL × 29
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.2；293 K；Reservoir: 0.2 M NaCl, 0.1 M Phosphate/citrate pH 4.2 8% PEG 8000
Buffer: 50 mM Tris 250 mM NaCl pH 7.5
Protein concentration: 4 mg/ml
Microseeded
|
Resolution 2.40 Å
R-free 0.210
|
|
6SGV
Crystal structure of AcAChBP in complex with hosieine
Deposited 2019-08-05
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
1–236（236 aa）
Chain B
1–236（236 aa）
Chain C
1–236（236 aa）
Chain D
1–236（236 aa）
Chain E
1–236（236 aa）
|
Not recorded
|
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3
LDQ Hosieine × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；298 K；reservoir solution: 0.2 M CaCl2, 0.1M NaOAc pH 4.5, 16% isopropanol
Protein buffer: 50 mM tris pH 7.5, 250 mM NaCl, 4 mg/ml
mixed in 1ul protein : 2 ul reservoir
|
Resolution 2.60 Å
R-free 0.257
|
|
6SGV
Crystal structure of AcAChBP in complex with hosieine
Deposited 2019-08-05
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain F
1–236（236 aa）
Chain G
1–236（236 aa）
Chain H
1–236（236 aa）
Chain I
1–236（236 aa）
Chain J
1–236（236 aa）
|
Not recorded
|
LDQ Hosieine × 5
ACT ACETATE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；298 K；reservoir solution: 0.2 M CaCl2, 0.1M NaOAc pH 4.5, 16% isopropanol
Protein buffer: 50 mM tris pH 7.5, 250 mM NaCl, 4 mg/ml
mixed in 1ul protein : 2 ul reservoir
|
Resolution 2.60 Å
R-free 0.257
|
|
6SH0
Crystal structure of AcAChBP in complex with anatoxin
Deposited 2019-08-05
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
1–236（236 aa）
Chain B
1–236（236 aa）
Chain C
1–236（236 aa）
Chain D
1–236（236 aa）
Chain E
1–236（236 aa）
|
Not recorded
|
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5
GOL GLYCEROL × 4
4P0 1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone × 5
ACT ACETATE ION × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；Reservoir solution: 8% PEG 4K, 0.1 M NaOAc pH 4.6
Protein buffer: 50 mM tris, 250 mM NaCl, pH 7.5, 4mg/ml
|
Resolution 2.50 Å
R-free 0.289
|
|
6SH0
Crystal structure of AcAChBP in complex with anatoxin
Deposited 2019-08-05
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain F
1–236（236 aa）
Chain G
1–236（236 aa）
Chain H
1–236（236 aa）
Chain I
1–236（236 aa）
Chain J
1–236（236 aa）
|
Not recorded
|
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4
GOL GLYCEROL × 1
4P0 1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone × 5
ACT ACETATE ION × 7
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；Reservoir solution: 8% PEG 4K, 0.1 M NaOAc pH 4.6
Protein buffer: 50 mM tris, 250 mM NaCl, pH 7.5, 4mg/ml
|
Resolution 2.50 Å
R-free 0.289
|
|
6T9R
Aplysia californica AChBP in complex with a cytisine derivative
Deposited 2019-10-28
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain AAA
1–236（236 aa）
Chain BBB
1–236（236 aa）
Chain CCC
1–236（236 aa）
Chain DDD
1–236（236 aa）
Chain EEE
1–236（236 aa）
|
Not recorded
|
MXQ (1~{R},9~{S})-5-(3-oxidanylpropyl)-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one × 5
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5
GOL GLYCEROL × 21
PO4 PHOSPHATE ION × 5
CL CHLORIDE ION × 5
K POTASSIUM ION × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；295.15 K；Starting protein concentration 12.5 mg/ml + 6 mM ligand BS82.
Crystallised as hanging drops, the drop containing 1.5 ul protein, 0.2 ul reservoir (0.8 M NaH2PO4, 0.8 M KH2PO4, 10% glycerol, 0.1 M HEPES pH 7.0) and 0.3 ul microseeds from cytisine bound AChBP crystals (grown as sitting drops in 0.8 M NaH2PO4, 0.8 M KH2PO4, 0.1 M HEPES pH 7.5).
|
Resolution 1.72 Å
R-free 0.192
|
|
6T9R
Aplysia californica AChBP in complex with a cytisine derivative
Deposited 2019-10-28
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain FFF
1–236（236 aa）
Chain GGG
1–236（236 aa）
Chain HHH
1–236（236 aa）
Chain III
1–236（236 aa）
Chain JJJ
1–236（236 aa）
|
Not recorded
|
MXQ (1~{R},9~{S})-5-(3-oxidanylpropyl)-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one × 5
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5
GOL GLYCEROL × 20
PO4 PHOSPHATE ION × 5
CL CHLORIDE ION × 5
K POTASSIUM ION × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；295.15 K；Starting protein concentration 12.5 mg/ml + 6 mM ligand BS82.
Crystallised as hanging drops, the drop containing 1.5 ul protein, 0.2 ul reservoir (0.8 M NaH2PO4, 0.8 M KH2PO4, 10% glycerol, 0.1 M HEPES pH 7.0) and 0.3 ul microseeds from cytisine bound AChBP crystals (grown as sitting drops in 0.8 M NaH2PO4, 0.8 M KH2PO4, 0.1 M HEPES pH 7.5).
|
Resolution 1.72 Å
R-free 0.192
|
|
7EGR
Co-crystal structure of Ac-AChBPP in complex with RgIA
Deposited 2021-03-26
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer；Protein × 9
PDB declaration: nonameric
|
Chain A
19–224（206 aa）
Chain B
20–223（204 aa）
Chain C
20–223（204 aa）
Chain D
19–224（206 aa）
Chain E
19–223（205 aa）
|
Not recorded
|
MG MAGNESIUM ION × 6
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；1.8 M Magnesium sulfate hydrate, 0.1 M Sodium acetate trihydrate pH 4.6
|
Resolution 2.50 Å
R-free 0.221
|
|
7EGR
Co-crystal structure of Ac-AChBPP in complex with RgIA
Deposited 2021-03-26
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer；Protein × 9
PDB declaration: nonameric
|
Chain F
19–223（205 aa）
Chain G
19–224（206 aa）
Chain H
19–224（206 aa）
Chain I
19–224（206 aa）
Chain J
19–224（206 aa）
|
Not recorded
|
MG MAGNESIUM ION × 4
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；1.8 M Magnesium sulfate hydrate, 0.1 M Sodium acetate trihydrate pH 4.6
|
Resolution 2.50 Å
R-free 0.221
|
|
8Q1M
Aplysia californica acetylcholine-binding protein in complex with Spiroimine (+)-4 R
Deposited 2023-07-31
|
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
18–225（208 aa）
Fragment：UNP residues 18-225
Chain B
18–225（208 aa）
Fragment：UNP residues 18-225
Chain C
18–225（208 aa）
Fragment：UNP residues 18-225
Chain D
18–225（208 aa）
Fragment：UNP residues 18-225
Chain E
18–225（208 aa）
Fragment：UNP residues 18-225
|
Not recorded
|
ILR Spiroimine (+)-4 R × 5
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1
CL CHLORIDE ION × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；17% polyethylene glycol 4K (w/v), 0.1 M TRIS-HCL pH 7.5, 0.2 M sodium citrate pH 6.0, 10% glycerol 10% (v/v)
|
Resolution 2.00 Å
R-free 0.206
|
|
8QTL
Aplysia californica acetylcholine-binding protein in complex with Spiroimine (-)-4 S
Deposited 2023-10-12
|
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
18–225（208 aa）
Fragment：UNP residues 18-225
Chain B
18–225（208 aa）
Fragment：UNP residues 18-225
Chain C
18–225（208 aa）
Fragment：UNP residues 18-225
Chain D
18–225（208 aa）
Fragment：UNP residues 18-225
Chain E
18–225（208 aa）
Fragment：UNP residues 18-225
|
Not recorded
|
WSP Spiroimine (-)-4 S × 5
CL CHLORIDE ION × 6
IPA ISOPROPYL ALCOHOL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；15% polyethylene glycol 4K (w/v), 0.1 M HEPES pH 7.5, 10% isopropanol (v/v), 10% glycerol (v/v)
|
Resolution 1.85 Å
R-free 0.211
|
|
8QX2
Aplysia californica acetylcholine-binding protein in complex with racemic spiroimine (+)/(-)-4
Deposited 2023-10-20
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer；Protein × 5
PDB declaration: pentameric
|
Chain A
18–225（208 aa）
Fragment：UNP residues 18-225
Chain B
18–225（208 aa）
Fragment：UNP residues 18-225
Chain C
18–225（208 aa）
Fragment：UNP residues 18-225
Chain D
18–225（208 aa）
Fragment：UNP residues 18-225
Chain E
18–225（208 aa）
Fragment：UNP residues 18-225
|
Not recorded
|
ILR Spiroimine (+)-4 R × 5
IPA ISOPROPYL ALCOHOL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；10% polyethylene glycol 1500 (w/v), 0.1 M sodium citrate buffer pH 5.5, 24% isopropanol (v/v)
|
Resolution 2.10 Å
R-free 0.210
|
