disruption of plasma membrane integrity in another organism / transport vesicle / extracellular matrix / innate immune response in mucosa / phospholipid binding / antimicrobial humoral immune response mediated by antimicrobial peptide / antibacterial humoral response / cellular response to lipopolysaccharide / defense response to Gram-negative bacterium / killing of cells of another organism ...disruption of plasma membrane integrity in another organism / transport vesicle / extracellular matrix / innate immune response in mucosa / phospholipid binding / antimicrobial humoral immune response mediated by antimicrobial peptide / antibacterial humoral response / cellular response to lipopolysaccharide / defense response to Gram-negative bacterium / killing of cells of another organism / defense response to Gram-positive bacterium / defense response to bacterium / extracellular space Similarity search - Function
structures with the least restraint violations,structures with the lowest energy
Representative
Model #1
lowest energy
-
Components
#1: Protein/peptide
Defensin-relatedcryptdin4
Mass: 3771.609 Da / Num. of mol.: 1 / Fragment: Cryptdin4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mus musculus (house mouse) / Gene: Defcr4 / Plasmid: PET-28A / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3)-CODON-PLUS-RIL / References: UniProt: P28311
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Experimental details
-
Experiment
Experiment
Method: SOLUTION NMR
NMR experiment
Conditions-ID
Experiment-ID
Solution-ID
Type
3
1
1
2D NOESY
3
2
1
2D TOCSY
3
3
1
DQF-COSY
3
4
2
2D NOESY
3
5
2
2D TOCSY
NMR details
Text: This structure was determined using standard 2D homonuclear techniques.
-
Sample preparation
Details
Solution-ID
Contents
Solvent system
1
1.5mMCryptdin4; 90% H2O, 10% D2O
90% H2O/10% D2O
2
1.5mMCryptdin4; 100% D2O
100% D2O
Sample conditions
Conditions-ID
Ionic strength
pH
Pressure (kPa)
Temperature (K)
1
0
4.6
ambient
288K
2
0
4.6
ambient
293K
3
0
4.6
ambient
298K
4
0
4.6
ambient
303K
5
0
4.6
ambient
308K
-
NMR measurement
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M
Radiation wavelength
Relative weight: 1
NMR spectrometer
Type: Bruker AVANCE / Manufacturer: Bruker / Model: AVANCE / Field strength: 600 MHz
-
Processing
NMR software
Name
Version
Developer
Classification
XwinNMR
1.3.5
Bruker
collection
CARA
1
Wuthrich, K. etal.
dataanalysis
CYANA
2
Hermann, T. etal.
structuresolution
CNS
1
Brunger, A.T. etal.
refinement
Refinement
Method: Simulated annealing using torsion angle dynamics, refinement in explicit solvent using Cartesian dynamics within CNS. Software ordinal: 1
NMR representative
Selection criteria: lowest energy
NMR ensemble
Conformer selection criteria: structures with the least restraint violations,structures with the lowest energy Conformers calculated total number: 50 / Conformers submitted total number: 20
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