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- PDB-2mu8: Residues belonging the n-terminal region derived of merozoite sur... -

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Basic information

Entry
Database: PDB / ID: 2mu8
TitleResidues belonging the n-terminal region derived of merozoite surface protein-2 of plasmodium falciparum
ComponentsMSP-2 peptide
KeywordsCELL INVASION / Merozoite Surface Protein 2 / classic beta-turn
Function / homologyMerozoite surface antigen 2 (MSA-2) / Merozoite Surface Antigen 2 (MSA-2) family / side of membrane / cell adhesion / plasma membrane / Merozoite surface protein 2
Function and homology information
Biological speciesPlasmodium falciparum (malaria parasite P. falciparum)
MethodSOLUTION NMR / DGSA-distance geometry simulated annealing
Model detailsfewest violations, model1
AuthorsCifuentes, G. / Patarroyo, M.E. / Urquiza, M. / Ramirez, L.E. / Reyes, C. / Rodriguez, R.
CitationJournal: J.Med.Chem. / Year: 2003
Title: Distorting malaria peptide backbone structure to enable fitting into MHC class II molecules renders modified peptides immunogenic and protective.
Authors: Cifuentes, G. / Patarroyo, M.E. / Urquiza, M. / Ramirez, L.E. / Reyes, C. / Rodriguez, R.
History
DepositionSep 4, 2014Deposition site: BMRB / Processing site: RCSB
Revision 1.0Nov 12, 2014Provider: repository / Type: Initial release
Revision 1.1Dec 9, 2015Group: Database references
Revision 1.2Jun 14, 2023Group: Data collection / Database references / Other
Category: database_2 / pdbx_database_status / pdbx_nmr_software
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_nmr_data / _pdbx_nmr_software.name
Revision 1.3May 15, 2024Group: Data collection / Database references / Category: chem_comp_atom / chem_comp_bond / database_2 / Item: _database_2.pdbx_DOI

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: MSP-2 peptide


Theoretical massNumber of molelcules
Total (without water)2,3981
Polymers2,3981
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)1 / 50structures with the lowest energy
RepresentativeModel #1

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Components

#1: Protein/peptide MSP-2 peptide


Mass: 2397.644 Da / Num. of mol.: 1 / Source method: obtained synthetically
Details: Synthetic peptide of 20 residues length from MSP-2 protein of Plasmodium falciparum
Source: (synth.) Plasmodium falciparum (malaria parasite P. falciparum)
References: UniProt: P50498*PLUS

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
1112D DQF-COSY
2212D 1H-1H TOCSY
3312D 1H-1H NOESY

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Sample preparation

DetailsContents: 10.0 MG/ML, DMSO-d6
SampleConc.: 8 mM / Component: entity-1
Sample conditionspH: 3.7 / Pressure: AMBIENT ATM / Temperature: 295 K

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NMR measurement

NMR spectrometerType: Bruker DRX / Manufacturer: Bruker / Model: DRX / Field strength: 500 MHz

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Processing

NMR software
NameVersionClassification
TopSpinstructure solution
Insight IIIIstructure solution
Insight IIIIrefinement
RefinementMethod: DGSA-distance geometry simulated annealing / Software ordinal: 1
NMR ensembleConformer selection criteria: structures with the lowest energy
Conformers calculated total number: 50 / Conformers submitted total number: 1

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