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- PDB-2m2r: Solution structure of MCh-2: A novel inhibitor cystine knot pepti... -
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Open data
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Basic information
Entry | Database: PDB / ID: 2m2r | ||||||
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Title | Solution structure of MCh-2: A novel inhibitor cystine knot peptide from Momordica charantia | ||||||
![]() | Inhibitor cystine knot peptide MCh-2 | ||||||
![]() | UNKNOWN FUNCTION / cystine knot / disulfide-rich peptides / MCh-2 / oxidative refolding / selective reduction | ||||||
Function / homology | Inhibitor cystine knot peptide MCh-2![]() | ||||||
Biological species | ![]() | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
Model details | lowest energy, model5 | ||||||
![]() | He, W. / Chan, L. / Clark, R.J. / Tang, J. / Zeng, G. / Franco, O.L. / Cantacessi, C. / Craik, D.J. / Daly, N.L. / Tan, N. | ||||||
![]() | ![]() Title: Novel Inhibitor Cystine Knot Peptides from Momordica charantia. Authors: He, W.J. / Chan, L.Y. / Clark, R.J. / Tang, J. / Zeng, G.Z. / Franco, O.L. / Cantacessi, C. / Craik, D.J. / Daly, N.L. / Tan, 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 | ![]() | 165.6 KB | Display | ![]() |
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PDB format | ![]() | 138.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 441.6 KB | Display | ![]() |
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Full document | ![]() | 557.7 KB | Display | |
Data in XML | ![]() | 14.1 KB | Display | |
Data in CIF | ![]() | 20.8 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: 3145.744 Da / Num. of mol.: 1 / Source method: isolated from a natural source Details: MCh-2 was isolated from the Momordica charantia seeds extract Source: (natural) ![]() |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR / Details: Solution structure of MCh-2 using NMR | ||||||||||||
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NMR experiment |
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Sample preparation
Details | Contents: 3 mM MCh, 90% H2O/10% D2O / Solvent system: 90% H2O/10% D2O |
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Sample | Conc.: 3 mM / Component: MCh-2-1 |
Sample conditions | pH: 5 / Temperature: 298 K |
-NMR measurement
NMR spectrometer | Type: Bruker ARX / Manufacturer: Bruker / Model: ARX / Field strength: 600 MHz |
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Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 1 | ||||||||||||
NMR constraints | NOE constraints total: 319 / NOE intraresidue total count: 89 / NOE long range total count: 65 / NOE medium range total count: 52 / NOE sequential total count: 113 | ||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 100 / Conformers submitted total number: 20 |