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- PDB-1lmm: Solution Structure of Psmalmotoxin 1, the First Characterized Spe... -

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Basic information

Entry
Database: PDB / ID: 1lmm
TitleSolution Structure of Psmalmotoxin 1, the First Characterized Specific Blocker of ASIC1a NA+ channel
ComponentsPsalmotoxin 1
KeywordsTOXIN / ICK
Function / homologyLaminin - #10 / Laminin / ion channel regulator activity / Other non-globular / Special / toxin activity / extracellular region / Psalmotoxin-1
Function and homology information
Biological speciesPsalmopoeus cambridgei (Trinidad chevron tarantula)
MethodSOLUTION NMR / distance geometry, simulated annealing
AuthorsEscoubas, P. / Bernard, C. / Lazdunski, M. / Darbon, H.
CitationJournal: Protein Sci. / Year: 2003
Title: Recombinant production and solution structure of PcTx1, the specific peptide inhibitor of ASIC1a proton-gated cation channels
Authors: Escoubas, P. / Bernard, C. / Lambeau, G. / Lazdunski, M. / Darbon, H.
History
DepositionMay 2, 2002Deposition site: RCSB / Processing site: RCSB
Revision 1.0Nov 25, 2003Provider: repository / Type: Initial release
Revision 1.1Apr 28, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Feb 23, 2022Group: Data collection / Database references / Derived calculations
Category: database_2 / pdbx_nmr_software ...database_2 / pdbx_nmr_software / pdbx_struct_assembly / pdbx_struct_oper_list
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_nmr_software.name
Revision 1.4Nov 6, 2024Group: Data collection / Structure summary
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / pdbx_entry_details / pdbx_modification_feature

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Psalmotoxin 1


Theoretical massNumber of molelcules
Total (without water)4,7061
Polymers4,7061
Non-polymers00
Water00
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)20 / 30structures with the lowest energy
Representative

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Components

#1: Protein/peptide Psalmotoxin 1 / PcTx1


Mass: 4705.513 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Psalmopoeus cambridgei (Trinidad chevron tarantula)
Production host: Escherichia coli (E. coli) / References: UniProt: P60514
Has protein modificationY

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
111DQF-COSY
1212D TOCSY
1312D NOESY
241DQF-COSY
2512D TOCSY
2612D NOESY

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Sample preparation

DetailsContents: 2.9 mm
Sample conditions
Conditions-IDpHPressure (kPa)Temperature (K)
13.6ambient 283 K
23.6ambient 300 K
Crystal grow
*PLUS
Method: other / Details: NMR

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NMR measurement

RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M
Radiation wavelengthRelative weight: 1
NMR spectrometerType: Bruker DRX / Manufacturer: Bruker / Model: DRX / Field strength: 500 MHz

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Processing

NMR software
NameVersionDeveloperClassification
XwinNMR2.6collection
XwinNMR2.6processing
XEASY1.3Bartelsdata analysis
DIANA2.8Gnthertstructure solution
CNS1.1Brungerrefinement
RefinementMethod: distance geometry, simulated annealing / Software ordinal: 1
NMR ensembleConformer selection criteria: structures with the lowest energy
Conformers calculated total number: 30 / Conformers submitted total number: 20

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