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- PDB-1tfs: NMR AND RESTRAINED MOLECULAR DYNAMICS STUDY OF THE THREE-DIMENSIO... -

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Basic information

Entry
Database: PDB / ID: 1tfs
TitleNMR AND RESTRAINED MOLECULAR DYNAMICS STUDY OF THE THREE-DIMENSIONAL SOLUTION STRUCTURE OF TOXIN FS2, A SPECIFIC BLOCKER OF THE L-TYPE CALCIUM CHANNEL, ISOLATED FROM BLACK MAMBA VENOM
ComponentsTOXIN FS2
KeywordsTOXIN
Function / homologySnake toxins signature. / Snake toxin, conserved site / CD59 / CD59 / Ribbon / toxin activity / extracellular region / Mainly Beta / Toxin FS-2
Function and homology information
Biological speciesDendroaspis polylepis polylepis (black mamba)
MethodSOLUTION NMR
AuthorsAlbrand, J.-P. / Blackledge, M.J. / Pascaud, F. / Hollecker, M. / Marion, D.
CitationJournal: Biochemistry / Year: 1995
Title: NMR and restrained molecular dynamics study of the three-dimensional solution structure of toxin FS2, a specific blocker of the L-type calcium channel, isolated from black mamba venom.
Authors: Albrand, J.P. / Blackledge, M.J. / Pascaud, F. / Hollecker, M. / Marion, D.
History
DepositionJan 26, 1995Processing site: BNL
Revision 1.0Mar 31, 1995Provider: repository / Type: Initial release
Revision 1.1Mar 24, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Mar 2, 2022Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Other
Category: database_2 / pdbx_database_status ...database_2 / pdbx_database_status / pdbx_nmr_software / pdbx_struct_assembly / pdbx_struct_oper_list / struct_ref_seq_dif
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.process_site / _pdbx_nmr_software.name / _struct_ref_seq_dif.details

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: TOXIN FS2


Theoretical massNumber of molelcules
Total (without water)7,0401
Polymers7,0401
Non-polymers00
Water0
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Atom site foot note1: CIS PROLINE - PRO 47 MODEL 1 / 2: CIS PROLINE - PRO 47 MODEL 2 / 3: CIS PROLINE - PRO 47 MODEL 3 / 4: CIS PROLINE - PRO 47 MODEL 4 / 5: CIS PROLINE - PRO 47 MODEL 5 / 6: CIS PROLINE - PRO 47 MODEL 6 / 7: CIS PROLINE - PRO 47 MODEL 7 / 8: CIS PROLINE - PRO 47 MODEL 8 / 9: CIS PROLINE - PRO 47 MODEL 9 / 10: CIS PROLINE - PRO 47 MODEL 10 / 11: CIS PROLINE - PRO 47 MODEL 11 / 12: CIS PROLINE - PRO 47 MODEL 12 / 13: CIS PROLINE - PRO 47 MODEL 13 / 14: CIS PROLINE - PRO 47 MODEL 14 / 15: CIS PROLINE - PRO 47 MODEL 15 / 16: CIS PROLINE - PRO 47 MODEL 16 / 17: CIS PROLINE - PRO 47 MODEL 17 / 18: CIS PROLINE - PRO 47 MODEL 18 / 19: CIS PROLINE - PRO 47 MODEL 19 / 20: CIS PROLINE - PRO 47 MODEL 20
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)20 / -
Representative

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Components

#1: Protein TOXIN FS2


Mass: 7040.211 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Dendroaspis polylepis polylepis (black mamba)
Species: Dendroaspis polylepis / Strain: polylepis / References: UniProt: P01414

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR

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Sample preparation

Crystal grow
*PLUS
Method: other / Details: NMR

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Processing

NMR softwareName: Discover / Developer: BIOSYM / Classification: refinement
NMR ensembleConformers submitted total number: 20

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