1DLL	Toxin	date	Dec 10, 1999
title	The Hc Fragement Of Tetanus Toxin Complexed With Lactose
authors	P.Emsley, C.Fotinou, I.Black, N.F.Fairweather, I.G.Charles, C.Watts, E.Hewitt, N.W.Isaacs
compound		source
Molecule: Tetanus Toxin Chain: A Fragment: Receptor Binding Fragment Hc Ec: 3.4.24.68 Engineered: Yes		Organism_scientific: Clostridium Tetani Expression_system: Escherichia Coli Expression_system_common: Bacteria Expression_system_plasmid: Pet 16b
symmetry	Space Group: P 21 21 21	R_factor	0.201
crystal cell	length a length b length c angle alpha angle beta angle gamma 67.076 70.882 122.238 90.00 90.00 90.00
method	X-Ray Diffraction	resolution	1.80 Å
ligand	GOL, LAT	enzyme	Tentoxilysin;. Tetanus neurotoxin. Hydrolase E.C.3.4.24.68 BRENDA
related structures	by homologous chain: 1A8D, 1DIW
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	The structures of the H(C) fragment of tetanus toxin with carbohydrate subunit complexes provide insight into ganglioside binding., Emsley P, Fotinou C, Black I, Fairweather NF, Charles IG, Watts C, Hewitt E, Isaacs NW, J Biol Chem 2000 Mar 24;275(12):8889-94. PMID:10722735

Data retrieval

Asymmetric unit, PDB entry: [header only] [complete with coordinates] (91 Kb) [Save to disk] Biological Unit Coordinates (1dll.pdb1.gz) 87 Kb CSU: Contacts of Structural Units for 1DLL Likely Quarternary Molecular Structure file(s) for 1DLL Structure Factors (421 Kb) Retrieve 1DLL in mmCIF format [Save to disk]

View 1DLL 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 1DLL, from MSDmotif at EBI Classification of representative domains in scop (Structural Classification of Proteins)     - Domain d1dlla2, region A:1111-1315 [Jmol] [rasmolscript] [script source]     - Domain d1dlla1, region A:875-1110 [Jmol] [rasmolscript] [script source] Fold representative 1dll 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: [1dll_A]

Other resources with information on 1DLL

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

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