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Open data
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Basic information
Entry | Database: PDB / ID: 2m7d | ||||||
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Title | Trp-cage 16b P12W: a Hyperstable Miniprotein | ||||||
![]() | Trp-Cage mini-protein | ||||||
![]() | DE NOVO PROTEIN / miniprotein / Trp-cage / circular permutant / microprotein | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
Model details | closest to the average, model1 | ||||||
![]() | Williams, D.V. / Andersen, N.H. / Kier, B.L. | ||||||
![]() | ![]() Title: Circular Permutation of the Trp-cage: Fold Rescue upon Addition of a Hydrophobic Staple. Authors: Byrne, A. / Kier, B.L. / Williams, D.V. / Scian, M. / Andersen, N.H. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 142.1 KB | Display | ![]() |
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PDB format | ![]() | 113.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 373.9 KB | Display | ![]() |
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Full document | ![]() | 406.9 KB | Display | |
Data in XML | ![]() | 8.5 KB | Display | |
Data in CIF | ![]() | 14.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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NMR ensembles |
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Components
#1: Protein/peptide | Mass: 2131.283 Da / Num. of mol.: 1 / Mutation: P12W, G10a, G15a / Source method: obtained synthetically |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR |
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NMR experiment | Type: 2D 1H-1H NOESY |
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Sample preparation
Details | Contents: 50 mM sodium phosphate, 90% H2O/10% D2O / Solvent system: 90% H2O/10% D2O |
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Sample | Conc.: 50 mM / Component: sodium phosphate-1 |
Sample conditions | Ionic strength: 0.11 / pH: 7 / Pressure: ambient / Temperature: 280 K |
-NMR measurement
NMR spectrometer | Type: Bruker DMX / Manufacturer: Bruker / Model: DMX / Field strength: 800 MHz |
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Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 1 Details: Incorporated LJ potential relax as extra final step for improved refinement. | ||||||||||||
NMR constraints | NOE constraints total: 323 | ||||||||||||
NMR representative | Selection criteria: closest to the average | ||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 50 / Conformers submitted total number: 30 |