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Yorodumi- PDB-2m2q: Solution structure of MCh-1: A novel inhibitor cystine knot pepti... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2m2q | ||||||
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Title | Solution structure of MCh-1: A novel inhibitor cystine knot peptide from Momordica charantia | ||||||
Components | Inhibitor cystine knot peptide MCh-1 | ||||||
Keywords | UNKNOWN FUNCTION / cystine knot / disulfide-rich peptides / MCh-1 / oxidative refolding / selective reduction | ||||||
Function / homology | Inhibitor cystine knot peptide MCh-1 Function and homology information | ||||||
Biological species | Momordica charantia (bitter melon) | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
Model details | lowest energy, model1 | ||||||
Authors | He, W. / Chan, L. / Clark, R.J. / Tang, J. / Zeng, G. / Franco, O.L. / Cantacessi, C. / Craik, D.J. / Daly, N.L. / Tan, N. | ||||||
Citation | Journal: Plos One / Year: 2013 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: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2m2q.cif.gz | 156 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2m2q.ent.gz | 130.2 KB | Display | PDB format |
PDBx/mmJSON format | 2m2q.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2m2q_validation.pdf.gz | 439.3 KB | Display | wwPDB validaton report |
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Full document | 2m2q_full_validation.pdf.gz | 528.9 KB | Display | |
Data in XML | 2m2q_validation.xml.gz | 12.7 KB | Display | |
Data in CIF | 2m2q_validation.cif.gz | 19.6 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/m2/2m2q ftp://data.pdbj.org/pub/pdb/validation_reports/m2/2m2q | HTTPS FTP |
-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein/peptide | Mass: 3030.588 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Momordica charantia (bitter melon) / References: UniProt: V5IRT8*PLUS |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR / Details: Solution structure of MCh-1 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-1-1 |
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: 417 / NOE intraresidue total count: 81 / NOE long range total count: 121 / NOE medium range total count: 61 / NOE sequential total count: 154 | ||||||||||||
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 |