+Open data
-Basic information
Entry | Database: PDB / ID: 6mm4 | ||||||
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Title | Solution NMR Structure of Engineered Cystine Knot Protein 2.5F | ||||||
Components | Engineered Cystine Knot Protein 2.5F | ||||||
Keywords | PROTEIN BINDING / Cystine Knot / Knottin / Protein Engineering | ||||||
Biological species | synthetic construct (others) | ||||||
Method | SOLUTION NMR / molecular dynamics | ||||||
Authors | Cochran, F.V. / Cochran, J.R. | ||||||
Citation | Journal: To be published Title: Solution NMR Structure of Engineered Cystine Knot Protein 2.5F Authors: Cochran, F.V. / Cochran, J.R. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6mm4.cif.gz | 168.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6mm4.ent.gz | 141.8 KB | Display | PDB format |
PDBx/mmJSON format | 6mm4.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/mm/6mm4 ftp://data.pdbj.org/pub/pdb/validation_reports/mm/6mm4 | HTTPS FTP |
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-Related structure data
Similar structure data | |
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Other databases |
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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: 3299.699 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) synthetic construct (others) / Production host: Escherichia coli (E. coli) |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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NMR experiment |
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-Sample preparation
Details | Type: solution / Contents: 400 uM [U-13C; U-15N] 2.5F, 95% H2O/5% D2O / Details: 50 mM sodium phosphate / Label: sample / Solvent system: 95% H2O/5% D2O |
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Sample | Conc.: 400 uM / Component: 2.5F / Isotopic labeling: [U-13C; U-15N] |
Sample conditions | Details: 50 mM sodium phosphate / Ionic strength: 50 mM / Label: conditions_1 / pH: 6.0 / Pressure: ambient / Temperature: 288 K |
-NMR measurement
NMR spectrometer |
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-Processing
NMR software |
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Refinement | Method: molecular dynamics / Software ordinal: 1 / Details: REFINEMENT IN EXPLICIT SOLVENT | |||||||||||||||
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 |