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- PDB-2mj9: Designed Exendin-4 analogues -

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Basic information

Entry
Database: PDB / ID: 2mj9
TitleDesigned Exendin-4 analogues
ComponentsExendin-4
KeywordsTOXIN / alpha helix / Trp-cage
Function / homologyGlucagon/GIP/secretin/VIP / Peptide hormone / Glucagon / GIP / secretin / VIP family signature. / Glucagon like hormones / hormone activity / regulation of blood pressure / toxin activity / extracellular region / Exendin-4
Function and homology information
Biological speciesHeloderma suspectum (Gila monster)
MethodSOLUTION NMR / simulated annealing
Model detailslowest energy, model2
AuthorsRovo, P. / Farkas, V. / Straner, P. / Szabo, M. / Jermendy, A. / Hegyi, O. / Toth, G.K. / Perczel, A.
CitationJournal: Biochemistry / Year: 2014
Title: Rational design of alpha-helix-stabilized exendin-4 analogues.
Authors: Rovo, P. / Farkas, V. / Straner, P. / Szabo, M. / Jermendy, A. / Hegyi, O. / Toth, G.K. / Perczel, A.
History
DepositionDec 30, 2013Deposition site: BMRB / Processing site: PDBJ
Revision 1.0Jun 4, 2014Provider: repository / Type: Initial release
Revision 1.1Aug 24, 2022Group: Database references / Derived calculations
Category: citation / database_2 ...citation / database_2 / struct_conn / struct_site
Item: _citation.journal_volume / _citation.page_first ..._citation.journal_volume / _citation.page_first / _citation.page_last / _citation.title / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_leaving_atom_flag / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id
Revision 1.2Jun 14, 2023Group: Other / Category: pdbx_database_status / Item: _pdbx_database_status.status_code_nmr_data
Revision 1.3Nov 20, 2024Group: Data collection / Database references / Structure summary
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_entry_details
Item: _database_2.pdbx_DOI / _pdbx_entry_details.has_protein_modification

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Exendin-4


Theoretical massNumber of molelcules
Total (without water)4,3081
Polymers4,3081
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)10 / 100lowest energy
RepresentativeModel #1lowest energy

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Components

#1: Protein/peptide Exendin-4


Mass: 4307.730 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Heloderma suspectum (Gila monster) / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: P26349*PLUS
Has protein modificationN
Sequence detailsA SEQUENCE REFERENCE FOR THIS PROTEIN DOES NOT CURRENTLY EXIST.

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
111TOCSY
121NOESY
131COSY

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Sample preparation

DetailsContents: 0.5-1 mM E19-1, 90% H2O, 10% D2O / Solvent system: 90% H2O/10% D2O
SampleUnits: mM / Component: E19-1 / Conc. range: 0.5-1
Sample conditionspH: 6.5 / Pressure: 1 atm / Temperature: 300 K

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NMR measurement

NMR spectrometerType: Bruker DRX / Manufacturer: Bruker / Model: DRX / Field strength: 700 MHz

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Processing

NMR softwareName: CNS / Classification: refinement
RefinementMethod: simulated annealing / Software ordinal: 1
NMR representativeSelection criteria: lowest energy
NMR ensembleConformer selection criteria: lowest energy / Conformers calculated total number: 100 / Conformers submitted total number: 10 / Representative conformer: 2

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