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- PDB-1d1h: SOLUTION STRUCTURE OF HANATOXIN 1 -

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Basic information

Entry
Database: PDB / ID: 1d1h
TitleSOLUTION STRUCTURE OF HANATOXIN 1
ComponentsHANATOXIN TYPE 1
KeywordsTOXIN / CYSTINE KNOT
Function / homologyHuwentoxin-1 family / Ion channel inhibitory toxin / ion channel inhibitor activity / toxin activity / extracellular region / Kappa-theraphotoxin-Gr1a
Function and homology information
Biological speciesGrammostola rosea (Chilean rose tarantula)
MethodSOLUTION NMR / DYNAMICAL SIMULATED ANNEALING
AuthorsTakahashi, H. / Kim, J.I. / Sato, K. / Swartz, K.J. / Shimada, I.
Citation
Journal: J.Mol.Biol. / Year: 2000
Title: Solution structure of hanatoxin1, a gating modifier of voltage-dependent K(+) channels: common surface features of gating modifier toxins.
Authors: Takahashi, H. / Kim, J.I. / Min, H.J. / Sato, K. / Swartz, K.J. / Shimada, I.
#1: Journal: Neuron / Year: 1995
Title: An inhibitor of the Kv2.1 potassium channel isolated from the venom of a Chilean Tarantula
Authors: Swartz, K.J. / MacKinnon, R.
History
DepositionSep 16, 1999Deposition site: RCSB / Processing site: RCSB
Revision 1.0Sep 20, 2000Provider: repository / Type: Initial release
Revision 1.1Oct 21, 2007Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Feb 16, 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

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: HANATOXIN TYPE 1


Theoretical massNumber of molelcules
Total (without water)4,1281
Polymers4,1281
Non-polymers00
Water0
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)21 / 100structures with the lowest energy
RepresentativeModel #1lowest energy

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Components

#1: Protein/peptide HANATOXIN TYPE 1


Mass: 4127.771 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Grammostola rosea (Chilean rose tarantula)
Tissue: VENOM / References: UniProt: P56852

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
1112D NOESY
121DQF-COSY
131E-COSY
NMR detailsText: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D HOMONUCLEAR TECHNIQUES.

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Sample preparation

DetailsContents: 2MM HANATOXIN1
Sample conditionsIonic strength: 0 / pH: 3.4 / Pressure: 1 atm / Temperature: 300 K
Crystal grow
*PLUS
Method: other / Details: NMR

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NMR measurement

NMR spectrometerType: Bruker DRX / Manufacturer: Bruker / Model: DRX / Field strength: 600 MHz

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Processing

NMR software
NameVersionDeveloperClassification
XwinNMR1.3BRUKERstructure solution
ANSIG3.3KRAULISstructure solution
X-PLOR3.851BRUNGERrefinement
RefinementMethod: DYNAMICAL SIMULATED ANNEALING / Software ordinal: 1
Details: THE STRUCTURES ARE BASED ON A TOTAL OF 539 RESTRAINTS, 509 ARE NOE-DERIVED DISTANCE CONSTRAINTS, 19 DIHEDRAL ANGLE RESTRAINTS,11 DISTANCE RESTRAINTS FROM HYDROGEN BONDS AND DISULFIDE BONDS.
NMR representativeSelection criteria: lowest energy
NMR ensembleConformer selection criteria: structures with the lowest energy
Conformers calculated total number: 100 / Conformers submitted total number: 21

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