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

External Resource: Annotation

Domain Annotation: SCOP/SCOPe Classification
Domain Annotation: SCOP2 Classification
Domain Annotation: ECOD Classification
Domain Annotation: CATH
Protein Family Annotation
Gene Ontology: Gene Product Annotation
InterPro: Protein Family Classification
Pharos: Disease Associations

Domain Annotation: SCOP/SCOPe Classification SCOP-e Database Homepage

Chains	Domain Info	Class	Fold	Superfamily	Family	Domain	Species	Provenance Source (Version)
A	d4zk4a1	All beta proteins	Nicotinic receptor ligand binding domain-like	Nicotinic receptor ligand binding domain-like	automated matches	automated matches	California sea hare (Aplysia californica ) [TaxId: 6500 ], Human (Homo sapiens ) [TaxId: 9606 ], California sea hare (Aplysia californica ) [TaxId: 6500 ],	SCOPe (2.08)
A	d4zk4a2	Artifacts	Tags	Tags	Tags	N-terminal Tags	California sea hare (Aplysia californica ) [TaxId: 6500 ], Human (Homo sapiens ) [TaxId: 9606 ], California sea hare (Aplysia californica ) [TaxId: 6500 ],	SCOPe (2.08)
B	d4zk4b1	All beta proteins	Nicotinic receptor ligand binding domain-like	Nicotinic receptor ligand binding domain-like	automated matches	automated matches	California sea hare (Aplysia californica ) [TaxId: 6500 ], Human (Homo sapiens ) [TaxId: 9606 ], California sea hare (Aplysia californica ) [TaxId: 6500 ],	SCOPe (2.08)
B	d4zk4b2	Artifacts	Tags	Tags	Tags	N-terminal Tags	California sea hare (Aplysia californica ) [TaxId: 6500 ], Human (Homo sapiens ) [TaxId: 9606 ], California sea hare (Aplysia californica ) [TaxId: 6500 ],	SCOPe (2.08)
D	d4zk4d1	All beta proteins	Nicotinic receptor ligand binding domain-like	Nicotinic receptor ligand binding domain-like	automated matches	automated matches	California sea hare (Aplysia californica ) [TaxId: 6500 ], Human (Homo sapiens ) [TaxId: 9606 ], California sea hare (Aplysia californica ) [TaxId: 6500 ],	SCOPe (2.08)
D	d4zk4d2	Artifacts	Tags	Tags	Tags	N-terminal Tags	California sea hare (Aplysia californica ) [TaxId: 6500 ], Human (Homo sapiens ) [TaxId: 9606 ], California sea hare (Aplysia californica ) [TaxId: 6500 ],	SCOPe (2.08)
E	d4zk4e1	All beta proteins	Nicotinic receptor ligand binding domain-like	Nicotinic receptor ligand binding domain-like	automated matches	automated matches	California sea hare (Aplysia californica ) [TaxId: 6500 ], Human (Homo sapiens ) [TaxId: 9606 ], California sea hare (Aplysia californica ) [TaxId: 6500 ],	SCOPe (2.08)
E	d4zk4e2	Artifacts	Tags	Tags	Tags	N-terminal Tags	California sea hare (Aplysia californica ) [TaxId: 6500 ], Human (Homo sapiens ) [TaxId: 9606 ], California sea hare (Aplysia californica ) [TaxId: 6500 ],	SCOPe (2.08)
C	d4zk4c1	All beta proteins	Nicotinic receptor ligand binding domain-like	Nicotinic receptor ligand binding domain-like	automated matches	automated matches	California sea hare (Aplysia californica ) [TaxId: 6500 ], Human (Homo sapiens ) [TaxId: 9606 ], California sea hare (Aplysia californica ) [TaxId: 6500 ],	SCOPe (2.08)
C	d4zk4c2	Artifacts	Tags	Tags	Tags	N-terminal Tags	California sea hare (Aplysia californica ) [TaxId: 6500 ], Human (Homo sapiens ) [TaxId: 9606 ], California sea hare (Aplysia californica ) [TaxId: 6500 ],	SCOPe (2.08)

Domain Annotation: SCOP2 Classification SCOP2 Database Homepage

Chains	Type	Family Name	Domain Identifier	Family Identifier	Provenance Source (Version)
A	SCOP2B Superfamily	Nicotinic receptor ligand binding domain-like	8082308	3000369	SCOP2B (2022-06-29)
B	SCOP2B Superfamily	Nicotinic receptor ligand binding domain-like	8082308	3000369	SCOP2B (2022-06-29)
D	SCOP2B Superfamily	Nicotinic receptor ligand binding domain-like	8082308	3000369	SCOP2B (2022-06-29)
E	SCOP2B Superfamily	Nicotinic receptor ligand binding domain-like	8082308	3000369	SCOP2B (2022-06-29)
C	SCOP2B Superfamily	Nicotinic receptor ligand binding domain-like	8082308	3000369	SCOP2B (2022-06-29)

Domain Annotation: ECOD Classification ECOD Database Homepage

Chains	Family Name	Domain Identifier	Architecture	Possible Homology	Homology	Topology	Family	Provenance Source (Version)
A	PF02931	e4zk4A1	A: beta sandwiches	X: Immunoglobulin-like beta-sandwich	H: Nicotinic receptor ligand binding domain-like (From Topology)	T: Nicotinic receptor ligand binding domain-like	F: PF02931	ECOD (1.6)
B	PF02931	e4zk4B1	A: beta sandwiches	X: Immunoglobulin-like beta-sandwich	H: Nicotinic receptor ligand binding domain-like (From Topology)	T: Nicotinic receptor ligand binding domain-like	F: PF02931	ECOD (1.6)
D	PF02931	e4zk4D1	A: beta sandwiches	X: Immunoglobulin-like beta-sandwich	H: Nicotinic receptor ligand binding domain-like (From Topology)	T: Nicotinic receptor ligand binding domain-like	F: PF02931	ECOD (1.6)
E	PF02931	e4zk4E1	A: beta sandwiches	X: Immunoglobulin-like beta-sandwich	H: Nicotinic receptor ligand binding domain-like (From Topology)	T: Nicotinic receptor ligand binding domain-like	F: PF02931	ECOD (1.6)
C	PF02931	e4zk4C1	A: beta sandwiches	X: Immunoglobulin-like beta-sandwich	H: Nicotinic receptor ligand binding domain-like (From Topology)	T: Nicotinic receptor ligand binding domain-like	F: PF02931	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
A	2.70.170.10	Mainly Beta	Distorted Sandwich	Acetylcholine Binding Protein	Chain: A,	CATH (4.3.0)
B	2.70.170.10	Mainly Beta	Distorted Sandwich	Acetylcholine Binding Protein	Chain: A,	CATH (4.3.0)
D	2.70.170.10	Mainly Beta	Distorted Sandwich	Acetylcholine Binding Protein	Chain: A,	CATH (4.3.0)
E	2.70.170.10	Mainly Beta	Distorted Sandwich	Acetylcholine Binding Protein	Chain: A,	CATH (4.3.0)
C	2.70.170.10	Mainly Beta	Distorted Sandwich	Acetylcholine Binding Protein	Chain: A,	CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, B, C, D, E	PF02931	Neurotransmitter-gated ion-channel ligand binding domain (Neur_chan_LBD)	Neurotransmitter-gated ion-channel ligand binding domain	-	Family

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, B, C, D, E	soluble acetylcholine receptor, neuronal acetylcholine receptor subunit alpha-3 chimera	ligand-gated channel activity ligand-gated monoatomic ion channel activity extracellular ligand-gated monoatomic ion channel activity passive transmembrane transporter activity gated channel activity monoatomic ion channel activity channel activity monoatomic ion transmembrane transporter activity transporter activity transmembrane transporter activity cation binding ion binding binding metal ion binding ligand-gated channel activity ligand-gated monoatomic ion channel activity extracellular ligand-gated monoatomic ion channel activity passive transmembrane transporter activity gated channel activity monoatomic ion channel activity channel activity monoatomic ion transmembrane transporter activity transporter activity transmembrane transporter activity cation binding ion binding binding metal ion binding small molecule binding identical protein binding protein binding molecular transducer activity transmembrane signaling receptor activity signaling receptor activity neurotransmitter receptor activity postsynaptic neurotransmitter receptor activity acetylcholine receptor activity acetylcholine binding transmitter-gated monoatomic ion channel activity monoatomic cation transmembrane transporter activity transmitter-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential acetylcholine-gated monoatomic cation-selective channel activity ligand-gated monoatomic cation channel activity excitatory extracellular ligand-gated monoatomic ion channel activity monoatomic cation channel activity neurotransmitter receptor activity involved in regulation of postsynaptic membrane potential transmitter-gated channel activity	behavior multicellular organismal process locomotory behavior localization transport monoatomic ion transport establishment of localization system process regulation of biological process regulation of system process biological regulation muscle contraction muscle system process regulation of muscle system process behavior multicellular organismal process locomotory behavior localization transport monoatomic ion transport establishment of localization system process regulation of biological process regulation of system process biological regulation muscle contraction muscle system process regulation of muscle system process smooth muscle contraction regulation of smooth muscle contraction regulation of muscle contraction regulation of multicellular organismal process cellular response to stimulus regulation of cellular process response to stimulus signaling cellular process signal transduction cell communication regulation of postsynaptic membrane potential chemical synaptic transmission, postsynaptic synaptic signaling regulation of biological quality trans-synaptic signaling cell surface receptor signaling pathway nervous system process cell-cell signaling chemical synaptic transmission anterograde trans-synaptic signaling excitatory postsynaptic potential regulation of membrane potential developmental process multicellular organism development anatomical structure development nervous system development system development regulation of localization cellular localization nitrogen compound transport modulation of chemical synaptic transmission regulation of secretion by cell secretion by cell signal release acetylcholine secretion, neurotransmission establishment of localization in cell acetylcholine secretion regulation of signaling neurotransmitter secretion regulation of transport secretion regulation of neurotransmitter transport organic substance transport export from cell regulation of acetylcholine secretion, neurotransmission neurotransmitter transport organic cation transport acetate ester transport regulation of secretion amine transport signal release from synapse acetylcholine transport regulation of trans-synaptic signaling regulation of neurotransmitter secretion regulation of cell communication synaptic transmission, cholinergic regulation of amine transport regulation of synaptic transmission, cholinergic regulation of neuron projection development regulation of cellular component organization regulation of developmental process cellular developmental process cell projection organization plasma membrane bounded cell projection morphogenesis cell development neuron projection development cell morphogenesis cellular component organization neurogenesis cell projection morphogenesis neuron differentiation dendrite development neuron projection morphogenesis regulation of dendrite morphogenesis cell differentiation cellular component organization or biogenesis regulation of anatomical structure morphogenesis plasma membrane bounded cell projection organization regulation of cell projection organization dendrite morphogenesis cell morphogenesis involved in neuron differentiation generation of neurons anatomical structure morphogenesis regulation of dendrite development neuron development regulation of plasma membrane bounded cell projection organization adult behavior response to chemical response to nicotine behavioral response to nicotine cellular response to nitrogen compound cellular response to acetylcholine response to organic substance response to oxygen-containing compound response to nitrogen compound acetylcholine receptor signaling pathway postsynaptic signal transduction cellular response to oxygen-containing compound cellular response to chemical stimulus response to acetylcholine excretion micturition renal system process synaptic transmission involved in micturition neuromuscular synaptic transmission positive regulation of phosphorylation regulation of catalytic activity regulation of transferase activity positive regulation of phosphate metabolic process cell surface receptor protein tyrosine kinase signaling pathway regulation of primary metabolic process cellular component biogenesis positive regulation of metabolic process cellular component assembly regulation of phosphate metabolic process phosphate-containing compound metabolic process positive regulation of macromolecule metabolic process phosphorus metabolic process protein modification process positive regulation of protein phosphorylation activation of transmembrane receptor protein tyrosine kinase activity protein phosphorylation positive regulation of phosphorus metabolic process phosphorylation cellular metabolic process regulation of protein metabolic process regulation of cellular metabolic process primary metabolic process regulation of molecular function positive regulation of kinase activity regulation of kinase activity activation of protein kinase activity macromolecule modification regulation of phosphorus metabolic process metabolic process macromolecule metabolic process regulation of metabolic process regulation of protein modification process regulation of protein phosphorylation positive regulation of protein metabolic process positive regulation of biological process positive regulation of cellular metabolic process positive regulation of molecular function positive regulation of protein modification process organic substance metabolic process protein-containing complex assembly protein metabolic process positive regulation of protein kinase activity enzyme-linked receptor protein signaling pathway positive regulation of cellular process organonitrogen compound metabolic process positive regulation of transferase activity protein-containing complex organization positive regulation of catalytic activity regulation of protein kinase activity regulation of macromolecule metabolic process regulation of phosphorylation	membrane cellular anatomical entity cell periphery postsynapse postsynaptic membrane synapse cell junction plasma membrane plasma membrane region synaptic membrane membrane-bounded organelle intracellular anatomical structure nucleus membrane-enclosed lumen membrane cellular anatomical entity cell periphery postsynapse postsynaptic membrane synapse cell junction plasma membrane plasma membrane region synaptic membrane membrane-bounded organelle intracellular anatomical structure nucleus membrane-enclosed lumen intracellular membrane-bounded organelle intracellular organelle lumen nuclear speck nuclear body intracellular organelle nucleoplasm organelle lumen organelle nuclear lumen somatodendritic compartment cell projection dendrite dendritic tree neuron projection plasma membrane bounded cell projection protein-containing complex plasma membrane protein complex membrane protein complex transporter complex receptor complex acetylcholine-gated channel complex transmembrane transporter complex plasma membrane signaling receptor complex monoatomic ion channel complex Golgi apparatus cytoplasm endomembrane system postsynaptic density neuron to neuron synapse postsynaptic specialization asymmetric synapse cell body neuronal cell body membrane microdomain membrane raft plasma membrane raft endoplasmic reticulum

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, B, C, D, E	IPR006202	Neurotransmitter-gated ion-channel ligand-binding domain	Domain
A, B, C, D, E	IPR036734	Neurotransmitter-gated ion-channel ligand-binding domain superfamily	Homologous Superfamily
A, B, C, D, E	IPR006201	Neurotransmitter-gated ion-channel	Family
A, B, C, D, E	IPR006202	Neurotransmitter-gated ion-channel ligand-binding domain	Domain
A, B, C, D, E	IPR036719	Neurotransmitter-gated ion-channel transmembrane domain superfamily	Homologous Superfamily
A, B, C, D, E	IPR002394	Nicotinic acetylcholine receptor	Family
A, B, C, D, E	IPR006029	Neurotransmitter-gated ion-channel transmembrane domain	Domain
A, B, C, D, E	IPR036734	Neurotransmitter-gated ion-channel ligand-binding domain superfamily	Homologous Superfamily
A, B, C, D, E	IPR018000	Neurotransmitter-gated ion-channel, conserved site	Conserved Site
A, B, C, D, E	IPR038050	Neuronal acetylcholine receptor	Homologous Superfamily
A, B, C, D, E	IPR006201	Neurotransmitter-gated ion-channel	Family

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
A, B, C, D, E	Pharos: P32297	nicotine dependence lung carcinoma visual epilepsy alcohol abuse Seizures, Clonic squamous cell lung carcinoma lung adenocarcinoma abdominal aortic aneurysm malignant ependymoma medulloblastoma brain aneurysm cocaine dependence psoriasis heart disease subependymal giant cell astrocytoma nicotine dependence lung carcinoma visual epilepsy alcohol abuse Seizures, Clonic squamous cell lung carcinoma lung adenocarcinoma abdominal aortic aneurysm malignant ependymoma medulloblastoma brain aneurysm cocaine dependence psoriasis heart disease subependymal giant cell astrocytoma lung benign neoplasm malignant glioma autism spectrum disorder bronchitis peripheral arterial disease pulmonary edema glioblastoma small cell lung carcinoma hypertensive disorder large cell medulloblastoma lung cancer malignant colon neoplasm anorexia nervosa bipolar disorder chronic obstructive pulmonary disease pilocytic astrocytoma schizophrenia dental caries

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM133198.