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- PDB-1ei0: NMR STRUCTURE OF THE ALPHA-HELICAL HAIRPIN OF P8MTCP1 -

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Basic information

Entry
Database: PDB / ID: 1ei0
TitleNMR STRUCTURE OF THE ALPHA-HELICAL HAIRPIN OF P8MTCP1
ComponentsP8MTCP1
KeywordsCELL CYCLE / HELIX-TURN-HELIX / DISULFIDE BRIDGES
Function / homologyMature-T-Cell Proliferation I type / Mature-T-Cell Proliferation I type / Cysteine alpha-hairpin motif superfamily / Mitochondrial protein import / Coiled coil-helix-coiled coil-helix (CHCH) domain profile. / mitochondrial intermembrane space / mitochondrion / Cx9C motif-containing protein 4
Function and homology information
MethodSOLUTION NMR / distance geometry, molecular dynamics
Model type detailsminimized average
AuthorsBarthe, P. / Rochette, S. / Vita, C. / Roumestand, C.
CitationJournal: Protein Sci. / Year: 2000
Title: Synthesis and NMR solution structure of an alpha-helical hairpin stapled with two disulfide bridges.
Authors: Barthe, P. / Rochette, S. / Vita, C. / Roumestand, C.
History
DepositionFeb 23, 2000Deposition site: RCSB / Processing site: RCSB
Revision 1.0Feb 23, 2001Provider: repository / Type: Initial release
Revision 1.1Apr 27, 2008Group: 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: P8MTCP1


Theoretical massNumber of molelcules
Total (without water)4,2791
Polymers4,2791
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 / -
Representativeminimized average structure

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Components

#1: Protein/peptide P8MTCP1 / MATURE T-CELL PROLIFERATION-1 TYPE A


Mass: 4278.923 Da / Num. of mol.: 1 / Fragment: ALPHA-HELICAL HAIRPIN MOTIF OF P8MTCP1 / Source method: obtained synthetically
Details: The sequence is found naturally in Homo sapiens (humans).
References: UniProt: P56277

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experimentType: 2D NOESY
NMR detailsText: This structure was determined using standard 2D homonuclear techniques.

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Sample preparation

DetailsContents: 2mM alpha2-p8 / Solvent system: 90% H2O/10% D2O
Sample conditionsIonic strength: 0 / pH: 5.5 / Pressure: ambient / Temperature: 293 K
Crystal grow
*PLUS
Method: other / Details: NMR

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NMR measurement

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

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Processing

NMR software
NameVersionDeveloperClassification
UXNMR94Brukercollection
Gifa4.2Delsucdata analysis
DIANA2.1Guntertstructure solution
Amber4.1Pearlmanrefinement
RefinementMethod: distance geometry, molecular dynamics / Software ordinal: 1
Details: The structures are based on a total of 322 restraints, 285 are NOE-derived distance constraints, 29 dihedral angle restraints, no distance restraints from hydrogen bonds.
NMR representativeSelection criteria: minimized average structure
NMR ensembleConformers submitted total number: 1

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