+Open data
-Basic information
Entry | Database: PDB / ID: 2k76 | ||||||
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Title | Solution structure of a paralog-specific Mena binder by NMR | ||||||
Components | pGolemi | ||||||
Keywords | DE NOVO PROTEIN / protein design / miniature protein / aPP / beta-hairpin / ActA homolog | ||||||
Method | SOLUTION NMR / simulated annealing, torsion angle dynamics | ||||||
Authors | Link, N.M. / Hunke, C. / Eichler, J. / Bayer, P. | ||||||
Citation | Journal: Biol.Chem. / Year: 2009 Title: The solution structure of pGolemi, a high affinity Mena EVH1 binding miniature protein, suggests explanations for paralog-specific binding to Ena/VASP homology (EVH) 1 domains. Authors: Link, N.M. / Hunke, C. / Mueller, J.W. / Eichler, J. / Bayer, P. #1: Journal: J.Am.Chem.Soc. / Year: 2004 Title: High Affinity, Paralog-Specific Recognition of the Mena EVH1 domain by a miniature protein Authors: Golemi-Kotra, D. / Mahaffy, R. / Footer, M.J. / Holtzman, J.H. / Pollard, T.D. / Theriot, J.A. / Schepartz, A. #2: Journal: Biochemistry / Year: 2007 Title: Miniature Protein Ligands for EVH1 Domains: Interplay between Affinity, Specificity, and Cell Motility Authors: Holtzman, J.H. / Woronowicz, K. / Golemi-Kotra, D. / Schepartz, A. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2k76.cif.gz | 98.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2k76.ent.gz | 80.1 KB | Display | PDB format |
PDBx/mmJSON format | 2k76.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2k76_validation.pdf.gz | 337.5 KB | Display | wwPDB validaton report |
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Full document | 2k76_full_validation.pdf.gz | 394.6 KB | Display | |
Data in XML | 2k76_validation.xml.gz | 8 KB | Display | |
Data in CIF | 2k76_validation.cif.gz | 11.5 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/k7/2k76 ftp://data.pdbj.org/pub/pdb/validation_reports/k7/2k76 | HTTPS FTP |
-Related structure data
Similar structure data |
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-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein/peptide | Mass: 3459.831 Da / Num. of mol.: 1 / Source method: obtained synthetically Details: Solid-phase peptide synthesis. The original sequence comes from Meleagris gallopavo (Wild Turkey) |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||
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NMR experiment |
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-Sample preparation
Details | Contents: 1 mM pGolemi, 90% H2O, 10% D2O / Solvent system: 90% H2O/10% D2O |
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Sample | Conc.: 1 mM / Component: pGolemi |
Sample conditions | Ionic strength: 45 / pH: 7.0 / Pressure: ambient / Temperature: 300 K |
-NMR measurement
NMR spectrometer | Type: Bruker Avance / Manufacturer: Bruker / Model: DRX / Field strength: 700 MHz |
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-Processing
NMR software |
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Refinement | Method: simulated annealing, torsion angle dynamics / Software ordinal: 1 | ||||||||||||||||||||
NMR constraints | NOE constraints total: 373 / NOE intraresidue total count: 203 / NOE long range total count: 12 / NOE medium range total count: 63 / NOE sequential total count: 95 / Hydrogen bond constraints total count: 26 / Protein other angle constraints total count: 50 | ||||||||||||||||||||
NMR representative | Selection criteria: fewest violations | ||||||||||||||||||||
NMR ensemble | Conformer selection criteria: lowest energy / Conformers calculated total number: 200 / Conformers submitted total number: 10 |