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- PDB-1e0m: PROTOTYPE WW domain -

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Basic information

Entry
Database: PDB / ID: 1e0m
TitlePROTOTYPE WW domain
ComponentsWWPROTOTYPE
KeywordsDE NOVO PROTEIN / SH3 PROTOTYPE / WWPROTOTYPE / PROTEIN DESIGN
Biological speciesSYNTHETIC CONSTRUCT (others)
MethodSOLUTION NMR / simulated annealing
AuthorsMacias, M.J. / Gervais, V. / Civera, C. / Oschkinat, H.
CitationJournal: Nat.Struct.Biol. / Year: 2000
Title: Structural Analysis of Ww Domains and Design of a Ww Prototype
Authors: Macias, M.J. / Gervais, V. / Civera, C. / Oschkinat, H.
History
DepositionApr 1, 2000Deposition site: PDBE / Processing site: PDBE
Revision 1.0Apr 20, 2000Provider: repository / Type: Initial release
Revision 1.1Oct 28, 2015Group: Derived calculations / Other ...Derived calculations / Other / Source and taxonomy / Version format compliance
Revision 1.2May 15, 2024Group: Data collection / Database references / Other
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_mr

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: WWPROTOTYPE


Theoretical massNumber of molelcules
Total (without water)4,3591
Polymers4,3591
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 / 20LOWEST ENERGY
RepresentativeModel #1

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Components

#1: Protein/peptide WWPROTOTYPE


Mass: 4358.737 Da / Num. of mol.: 1 / Fragment: DOMAIN
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) SYNTHETIC CONSTRUCT (others) / Description: SYNTHETIC GENE / Production host: ESCHERICHIA COLI (E. coli)

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR detailsText: HOMONUCLEAR NMR

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Sample preparation

Sample conditionspH: 6.5 / Temperature: 295 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
NameDeveloperClassification
ARIALINGE, O'DONOGHUErefinement
XEASYstructure solution
ARIA/CNSstructure solution
RefinementMethod: simulated annealing / Software ordinal: 1
NMR ensembleConformer selection criteria: LOWEST ENERGY / Conformers calculated total number: 20 / Conformers submitted total number: 10

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