1AF9	Clostridial Neurotoxin	date	Mar 24, 1997
title	Tetanus Neurotoxin C Fragment
authors	T.C.Umland, L.Wingert, S.Swaminathan, W.F.Furey, J.J.Schmidt, M.Sax
compound		source
Molecule: Tetanus Neurotoxin Chain: A Fragment: C Fragment Ec: 3.4.24.68 Engineered: Yes Mutation: Yes		Organism_scientific: Clostridium Tetani Expression_system: Escherichia Coli Other_details: Purchased From Boehringer Mannheim
symmetry	Space Group: P 21 21 21	R_factor	0.161
crystal cell	length a length b length c angle alpha angle beta angle gamma 67.400 79.700 91.100 90.00 90.00 90.00
method	X-Ray Diffraction	resolution	2.70 Å
ligand		enzyme	Tentoxilysin;. Tetanus neurotoxin. Hydrolase E.C.3.4.24.68 BRENDA
related structures	by homologous chain: 1DFQ
similarity	Belongs to the peptidase m27 family.[Toxin_trans]
subunit	The precursor polypeptide is subsequently cleaved to yield subchains l and h. These remain linked by a disulfide bridge and are non-toxic after separation.
catalytic activ.	Hydrolysis of 76-gln-|-phe-77 bond in synaptobrevin 2.
Gene	CTC ; TETX (C. tetani)
function	It binds to peripheral neuronal synapses, is internalized and moves by retrograde transport up the axon into the spinal cord where it can move between postsynaptic and presynaptic neurons. Tetanus toxin acts by inhibiting neurotransmitter release. It inhibits neurotransmitter release by acting as a zinc endopeptidase that catalyzes the hydrolysis of the 76-gln-|-phe-77 bond of synaptobrevin-2.
Gene Ontology	Chain Function Process Component A metalloendopeptidase activit... peptidase activity metallopeptidase activity zinc ion binding hydrolase activity metal ion binding proteolysis pathogenesis extracellular region
Primary reference	Structure of the receptor binding fragment HC of tetanus neurotoxin., Umland TC, Wingert LM, Swaminathan S, Furey WF, Schmidt JJ, Sax M, Nat Struct Biol 1997 Oct;4(10):788-92. PMID:9334741

Data retrieval

Asymmetric unit, PDB entry: [header only] [complete with coordinates] (78 Kb) [Save to disk] Biological Unit Coordinates (1af9.pdb1.gz) 75 Kb CSU: Contacts of Structural Units for 1AF9 Likely Quarternary Molecular Structure file(s) for 1AF9 Structure Factors (106 Kb) Retrieve 1AF9 in mmCIF format [Save to disk]

View 1AF9 in 3D

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Structure-derived information

Electron Density related parameters from EDS Electron Density Server, at Upsala Dipole moment, from Dipole Server at Weizmann Institute Crystal Contacts, from CryCo at Weizmann Institute 3D motif for 1AF9, from MSDmotif at EBI Genome occurence of 1AF9's fold from GeneCensus Classification of representative domains in scop (Structural Classification of Proteins)     - Domain d1af9_2, region 1111-1315 [Jmol] [rasmolscript] [script source]     - Domain d1af9_1, region 875-1110 [Jmol] [rasmolscript] [script source] Fold representative 1af9 from FSSP and Dali (Families of Structurally Similar Proteins) Class (fold), Architecture (subfold), Topology, Homologous superfamily from CATH Summaries and structural analyses of PDB data files from PDBSum Identification of Protein Pockets & Cavities at CASTp

Sequence-derived information

View one-letter amino acid or nucleotide sequence for each chain: [1af9_A]

Other resources with information on 1AF9

InterPro: IPR006025 , IPR012500 , IPR011591 , IPR012928 , IPR000395 PDBREPORT (protein verification by WHAT_CHECK procedures) MMDB (Entrez's Structure Database)

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