1XTG

Crystal structure of NEUROTOXIN BONT/A complexed with Synaptosomal-associated protein 25

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	d1xtga1	Alpha and beta proteins (a+b)	Zincin-like	Metalloproteases ('zincins'), catalytic domain	Clostridium neurotoxins, catalytic domain	Botulinum neurotoxin	(Clostridium botulinum ) [TaxId: 1491 ],	SCOPe (2.08)
A	d1xtga2	Artifacts	Tags	Tags	Tags	C-terminal Tags	(Clostridium botulinum ) [TaxId: 1491 ],	SCOPe (2.08)
B	d1xtgb_	Coiled coil proteins	Parallel coiled-coil	SNARE fusion complex	SNARE fusion complex	Synaptosomal-associated protein SNAP-25	human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)

Domain Annotation: SCOP2 Classification SCOP2 Database Homepage

Chains	Type	Family Name	Domain Identifier	Family Identifier	Provenance Source (Version)
B	SCOP2 Family	SNARE fusion complex	8031780	4003812	SCOP2 (2022-06-29)
B	SCOP2 Superfamily	SNARE fusion complex	8044158	3001549	SCOP2 (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	Peptidase_M27	e1xtgA1	A: mixed a+b and a/b	X: Zincin-like	H: Metalloproteases (zincins) catalytic domain (From Topology)	T: Metalloproteases (zincins) catalytic domain	F: Peptidase_M27	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
A	3.90.1240.10	Alpha Beta	Alpha-Beta Complex	Zincin-like	Metalloproteases ("zincins"), catalytic domain like	CATH (4.3.0)
B	1.20.5.110	Mainly Alpha	Up-down Bundle	Single alpha-helices involved in coiled-coils or other helix-helix interfaces		CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A	PF01742	Clostridial neurotoxin zinc protease (Peptidase_M27)	Clostridial neurotoxin zinc protease	-	Family

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A	NEUROTOXIN BONT/A	macromolecule transmembrane transporter activity protein transporter activity protein transmembrane transporter activity transporter activity transmembrane transporter activity peptidase activity catalytic activity, acting on a protein metalloendopeptidase activity hydrolase activity metallopeptidase activity catalytic activity endopeptidase activity toxin activity cation binding macromolecule transmembrane transporter activity protein transporter activity protein transmembrane transporter activity transporter activity transmembrane transporter activity peptidase activity catalytic activity, acting on a protein metalloendopeptidase activity hydrolase activity metallopeptidase activity catalytic activity endopeptidase activity toxin activity cation binding transition metal ion binding zinc ion binding ion binding binding metal ion binding small molecule binding	proteolysis metabolic process primary metabolic process protein metabolic process macromolecule metabolic process	membrane cellular anatomical entity extracellular region host cell plasma membrane host cellular component host cell part host cell membrane host cell synapse host cell presynaptic membrane host intracellular part host cell cytoplasm host intracellular region host cell cytosol host cell cytoplasm part membrane cellular anatomical entity extracellular region host cell plasma membrane host cellular component host cell part host cell membrane host cell synapse host cell presynaptic membrane host intracellular part host cell cytoplasm host intracellular region host cell cytosol host cell cytoplasm part host cell cytoplasmic vesicle host intracellular membrane-bounded organelle host intracellular organelle
B	Synaptosomal-associated protein 25	SNAP receptor activity protein-macromolecule adaptor activity molecular adaptor activity monoatomic cation transmembrane transporter activity gated channel activity monoatomic ion channel activity potassium ion transmembrane transporter activity voltage-gated channel activity voltage-gated monoatomic ion channel activity potassium channel activity voltage-gated monoatomic cation channel activity monoatomic cation channel activity passive transmembrane transporter activity voltage-gated potassium channel activity SNAP receptor activity protein-macromolecule adaptor activity molecular adaptor activity monoatomic cation transmembrane transporter activity gated channel activity monoatomic ion channel activity potassium ion transmembrane transporter activity voltage-gated channel activity voltage-gated monoatomic ion channel activity potassium channel activity voltage-gated monoatomic cation channel activity monoatomic cation channel activity passive transmembrane transporter activity voltage-gated potassium channel activity inorganic molecular entity transmembrane transporter activity channel activity inorganic cation transmembrane transporter activity monoatomic ion transmembrane transporter activity transporter activity metal ion transmembrane transporter activity transmembrane transporter activity protein binding binding protein domain specific binding syntaxin-1 binding SNARE binding syntaxin binding transmembrane transporter binding lipid binding cytoskeletal protein binding myosin binding calcium-dependent protein binding	membrane organization protein-containing complex organization transport membrane fusion organelle membrane fusion establishment of localization vesicle-mediated transport cellular component organization cellular component biogenesis vesicle organization organelle fusion localization organelle organization cellular component assembly protein-containing complex assembly membrane organization protein-containing complex organization transport membrane fusion organelle membrane fusion establishment of localization vesicle-mediated transport cellular component organization cellular component biogenesis vesicle organization organelle fusion localization organelle organization cellular component assembly protein-containing complex assembly SNARE complex assembly cellular process cellular component organization or biogenesis vesicle fusion multicellular organismal process axonogenesis cellular developmental process cell projection organization plasma membrane bounded cell projection morphogenesis cell development neuron projection development cell morphogenesis neurogenesis multicellular organism development cell projection morphogenesis neuron differentiation neuron projection morphogenesis cell differentiation anatomical structure development system development developmental process plasma membrane bounded cell projection organization nervous system development axon development cell morphogenesis involved in neuron differentiation generation of neurons anatomical structure morphogenesis neuron development protein localization regulation of localization establishment of protein localization nitrogen compound transport regulation of cellular process cell communication cellular macromolecule localization regulation of biological quality regulation of peptide hormone secretion regulation of biological process regulation of hormone levels establishment of protein localization to extracellular region protein secretion regulation of protein secretion regulation of secretion cellular localization regulation of hormone secretion regulation of protein localization regulation of peptide secretion signaling hormone secretion protein localization to extracellular region peptide secretion secretion by cell regulation of secretion by cell amide transport signal release regulation of signaling secretion regulation of transport regulation of peptide transport biological regulation regulation of establishment of protein localization cell-cell signaling export from cell regulation of protein transport peptide transport protein transport regulation of cellular localization regulation of insulin secretion peptide hormone secretion macromolecule localization hormone transport regulation of cell communication insulin secretion establishment of localization in cell intracellular transport endosomal transport trans-synaptic signaling synaptic signaling anterograde trans-synaptic signaling chemical synaptic transmission regulation of cellular component organization cell junction assembly regulation of synapse structure or activity regulation of synapse assembly synapse organization regulation of cellular component biogenesis regulation of cell junction assembly regulation of synapse organization cell junction organization synapse assembly establishment of organelle localization regulated exocytosis synaptic vesicle cycle synaptic vesicle exocytosis vesicle-mediated transport in synapse dense core granule localization organelle localization presynaptic dense core vesicle exocytosis secretory granule localization calcium-ion regulated exocytosis vesicle localization calcium ion-regulated exocytosis of neurotransmitter neurotransmitter secretion establishment of vesicle localization neuronal dense core vesicle exocytosis dense core granule exocytosis neurotransmitter transport signal release from synapse exocytosis synaptic vesicle priming exocytic process membrane docking organelle localization by membrane tethering vesicle docking involved in exocytosis synaptic vesicle docking vesicle docking behavior locomotory behavior import into cell neurotransmitter uptake system process learning or memory long-term memory nervous system process cognition memory learning associative learning receptor internalization protein-containing complex localization neurotransmitter receptor internalization receptor-mediated endocytosis endocytosis endomembrane system organization vesicle fusion to plasma membrane synaptic vesicle fusion to presynaptic active zone membrane synaptic vesicle membrane organization positive regulation of cell communication positive regulation of establishment of protein localization positive regulation of insulin secretion positive regulation of peptide hormone secretion positive regulation of protein localization positive regulation of biological process positive regulation of secretion by cell positive regulation of protein transport positive regulation of hormone secretion positive regulation of secretion positive regulation of cellular process positive regulation of peptide secretion positive regulation of protein secretion positive regulation of transport positive regulation of signaling protein localization to synapse neurotransmitter receptor transport to postsynaptic membrane establishment of protein localization to postsynaptic membrane neurotransmitter receptor transport to plasma membrane protein localization to cell periphery protein localization to postsynaptic membrane neurotransmitter receptor transport establishment of protein localization to membrane localization within membrane protein localization to membrane exocytic insertion of neurotransmitter receptor to postsynaptic membrane vesicle-mediated transport to the plasma membrane regulation of postsynaptic membrane neurotransmitter receptor levels protein localization to postsynapse protein localization to cell junction receptor localization to synapse regulation of neuron projection development regulation of cell projection organization regulation of plasma membrane bounded cell projection organization modulation of chemical synaptic transmission long-term synaptic potentiation regulation of synaptic plasticity positive regulation of synaptic transmission regulation of trans-synaptic signaling	cell projection cell leading edge cellular anatomical entity plasma membrane bounded cell projection lamellipodium membrane-bounded organelle intracellular anatomical structure membrane intracellular vesicle intracellular membrane-bounded organelle endomembrane system specific granule membrane intracellular organelle cytoplasmic vesicle membrane cell projection cell leading edge cellular anatomical entity plasma membrane bounded cell projection lamellipodium membrane-bounded organelle intracellular anatomical structure membrane intracellular vesicle intracellular membrane-bounded organelle endomembrane system specific granule membrane intracellular organelle cytoplasmic vesicle membrane bounding membrane of organelle vesicle membrane cytoplasmic vesicle organelle secretory granule secretory vesicle cytoplasm vesicle organelle membrane secretory granule membrane specific granule photoreceptor inner segment cytoskeleton intracellular non-membrane-bounded organelle actin cytoskeleton non-membrane-bounded organelle cytosol cell periphery presynapse synapse cell junction plasma membrane presynaptic membrane plasma membrane region synaptic membrane glutamatergic synapse neuron projection Golgi apparatus subcompartment Golgi apparatus organelle subcompartment trans-Golgi network SNARE complex protein-containing complex synaptobrevin 2-SNAP-25-syntaxin-1a complex membrane protein complex synaptobrevin 2-SNAP-25-syntaxin-1a-complexin II complex perinuclear region of cytoplasm somatodendritic compartment cell body neuronal cell body synaptobrevin 2-SNAP-25-syntaxin-1a-complexin I complex postsynapse transport vesicle synaptic vesicle exocytic vesicle actin-based cell projection filopodium tertiary granule membrane tertiary granule growth cone axon distal axon axonal growth cone site of polarized growth cell cortex ribbon synapse voltage-gated potassium channel complex plasma membrane protein complex potassium channel complex cation channel complex transporter complex transmembrane transporter complex monoatomic ion channel complex presynaptic active zone membrane presynaptic active zone endosome extrinsic component of plasma membrane extrinsic component of synaptic membrane extrinsic component of presynaptic membrane extrinsic component of membrane

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A	IPR000395	Botulinum/Tetanus toxin, catalytic chain	Domain
A	IPR012928	Clostridium neurotoxin, receptor binding N-terminal	Domain
A	IPR012500	Clostridium neurotoxin, translocation	Domain
A	IPR011065	Kunitz inhibitor STI-like superfamily	Homologous Superfamily
A	IPR013104	Clostridium neurotoxin, receptor-binding C-terminal	Domain
A	IPR013320	Concanavalin A-like lectin/glucanase domain superfamily	Homologous Superfamily
A	IPR036248	Clostridium neurotoxin, translocation domain	Homologous Superfamily
B	IPR000727	Target SNARE coiled-coil homology domain	Domain
B	IPR039077	SNAP25, N-terminal SNARE motif, chordates	Domain
B	IPR000928	SNAP-25 domain	Domain

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
B	Pharos: P60880	congenital myasthenic syndrome congenital myasthenic syndrome 18 melancholia bipolar disorder schizoaffective disorder Neuromuscular Manifestations endogenous depression type 2 diabetes mellitus epilepsy primitive neuroectodermal tumor interstitial cystitis lung carcinoma malignant glioma adrenal cortex carcinoma astrocytic tumor congenital myasthenic syndrome congenital myasthenic syndrome 18 melancholia bipolar disorder schizoaffective disorder Neuromuscular Manifestations endogenous depression type 2 diabetes mellitus epilepsy primitive neuroectodermal tumor interstitial cystitis lung carcinoma malignant glioma adrenal cortex carcinoma astrocytic tumor cystic fibrosis oligodendroglioma depressive disorder Parkinson disease Pick disease glioblastoma large cell medulloblastoma malignant colon neoplasm malignant mesothelioma maturity-onset diabetes of the young atypical teratoid rhabdoid tumor botulism nasopharyngeal carcinoma osteosarcoma peripheral nervous system disease pilocytic astrocytoma intellectual disability schizophreniform disorder subependymal giant cell astrocytoma malignant ependymoma Alzheimer disease medulloblastoma neurotic disorder overactive bladder peripheral neuropathy

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 R01GM157729.