+Open data
-Basic information
Entry | Database: PDB / ID: 2ley | ||||||
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Title | Solution structure of (R7G)-Crp4 | ||||||
Components | Alpha-defensin 4Alpha defensin | ||||||
Keywords | ANTIMICROBIAL PROTEIN | ||||||
Function / homology | Function and homology information pore-forming activity / disruption of plasma membrane integrity in another organism / azurophil granule / transport vesicle / innate immune response in mucosa / phospholipid binding / antimicrobial humoral immune response mediated by antimicrobial peptide / antibacterial humoral response / killing of cells of another organism / cellular response to lipopolysaccharide ...pore-forming activity / disruption of plasma membrane integrity in another organism / azurophil granule / transport vesicle / innate immune response in mucosa / phospholipid binding / antimicrobial humoral immune response mediated by antimicrobial peptide / antibacterial humoral response / killing of cells of another organism / cellular response to lipopolysaccharide / defense response to Gram-negative bacterium / defense response to Gram-positive bacterium / defense response to bacterium / protein homodimerization activity / extracellular space Similarity search - Function | ||||||
Biological species | Mus musculus (house mouse) | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
Model details | lowest energy, model 1 | ||||||
Authors | Rosengren, K. / Andersson, H.S. / Haugaard-Kedstrom, L.M. / Bengtsson, E. / Daly, N.L. / Figueredo, S.M. / Qu, X. / Craik, D.J. / Ouellette, A.J. | ||||||
Citation | Journal: Amino Acids / Year: 2012 Title: The alpha-defensin salt-bridge induces backbone stability to facilitate folding and confer proteolytic resistance. Authors: Andersson, H.S. / Figueredo, S.M. / Haugaard-Kedstrom, L.M. / Bengtsson, E. / Daly, N.L. / Qu, X. / Craik, D.J. / Ouellette, A.J. / Rosengren, K.J. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2ley.cif.gz | 197.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2ley.ent.gz | 167 KB | Display | PDB format |
PDBx/mmJSON format | 2ley.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/le/2ley ftp://data.pdbj.org/pub/pdb/validation_reports/le/2ley | HTTPS FTP |
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-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: 3671.467 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mus musculus (house mouse) / Gene: Defa4, Defcr4 / Production host: Escherichia coli (E. coli) / References: UniProt: P28311 |
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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 mg (R7G)-Crp4, 90% H2O/10% D2O / Solvent system: 90% H2O/10% D2O |
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Sample | Conc.: 1 mg/mL / Component: (R7G)-Crp4-1 |
Sample conditions | pH: 4 / Temperature: 298 K |
-NMR measurement
NMR spectrometer |
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-Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 1 Details: STRUCTURES WERE CALCULATED USING TORSION ANGLE DYNAMICS AND FURTHER REFINED USING CARTESIAN DYNAMICS IN EXPLICIT SOLVENT | |||||||||
NMR representative | Selection criteria: lowest energy | |||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 50 / Conformers submitted total number: 20 |