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- PDB-2mfs: Solution NMR structure of the cactus-derived antimicrobial peptid... -
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Open data
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Basic information
Entry | Database: PDB / ID: 2mfs | ||||||
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Title | Solution NMR structure of the cactus-derived antimicrobial peptide Ep-AMP1 | ||||||
![]() | Ep-AMP1 | ||||||
![]() | ANTIMICROBIAL PROTEIN / cystine-knot | ||||||
Biological species | Synthetic (others) | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
Model details | lowest energy, model1 | ||||||
![]() | Rosengren, K. / Goransson, U. / Gunasekera, S. / Aboye, T.L. | ||||||
![]() | ![]() Title: A cactus-derived toxin-like cystine knot Peptide with selective antimicrobial activity. Authors: Aboye, T.L. / Stromstedt, A.A. / Gunasekera, S. / Bruhn, J.G. / El-Seedi, H. / Rosengren, K.J. / Goransson, U. | ||||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 189 KB | Display | ![]() |
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PDB format | ![]() | 158.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 527 KB | Display | ![]() |
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Full document | ![]() | 627.9 KB | Display | |
Data in XML | ![]() | 17.7 KB | Display | |
Data in CIF | ![]() | 25 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Similar 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: 3611.230 Da / Num. of mol.: 1 / Source method: obtained synthetically Details: This peptide was assembled using standard Fmoc based solid phase peptide synthesis. Source: (synth.) Synthetic (others) |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||||||
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NMR experiment |
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Sample preparation
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Sample |
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Sample conditions | Ionic strength: 0 / pH: 3.0 / Pressure: ambient / Temperature: 298 K |
-NMR measurement
NMR spectrometer | Type: Bruker Avance / Manufacturer: Bruker / Model: AVANCE / Field strength: 600 MHz |
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Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 1 Details: Simulated annealing followed by refinement and energy minimization in explicit solvent. | ||||||||||||||||||||||||||||||||||||
NMR constraints | NOE constraints total: 347 / NOE intraresidue total count: 0 / NOE long range total count: 142 / NOE medium range total count: 51 / NOE sequential total count: 154 / Hydrogen bond constraints total count: 30 / Protein chi angle constraints total count: 7 / Protein phi angle constraints total count: 23 / Protein psi angle constraints total count: 22 | ||||||||||||||||||||||||||||||||||||
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 |