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- PDB-2igr: Solution structure of CB1a, a novel anticancer peptide derived fr... -
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Open data
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Basic information
Entry | Database: PDB / ID: 2igr | ||||||
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Title | Solution structure of CB1a, a novel anticancer peptide derived from natural antimicrobial peptide cecropin B | ||||||
![]() | Anticancer peptide CB1a | ||||||
![]() | DE NOVO PROTEIN / LIPID BINDING PROTEIN / Anticancer peptide / cecropin / antimicrobial peptide / ploycationic peptide / cecropin fingerprint sequence | ||||||
Biological species | ![]() | ||||||
Method | SOLUTION NMR / distance geometry, simulated annealing | ||||||
![]() | Wu, J.-M. | ||||||
![]() | ![]() Title: Structure and function of a custom anticancer peptide, CB1a Authors: Wu, J.-M. / Jan, P.-S. / Yu, H.-C. / Haung, H.-Y. / Fang, H.-J. / Chang, Y.-I. / Cheng, J.-W. / Chen, H.M. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 248 KB | Display | ![]() |
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PDB format | ![]() | 218.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 341.9 KB | Display | ![]() |
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Full document | ![]() | 443.5 KB | Display | |
Data in XML | ![]() | 12.2 KB | Display | |
Data in CIF | ![]() | 18.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | |
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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: 4203.322 Da / Num. of mol.: 1 / Source method: obtained synthetically Details: This peptide was designed from Cecropin B and chemically synthesized. Source: (synth.) ![]() |
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Sequence details | IN THIS ENTRY, THE PROTEIN WAS CONSTRUCTED BY REPEATING THE ORIGINAL N-TERMINAL TEN AMINO ACIDS OF ...IN THIS ENTRY, THE PROTEIN WAS CONSTRUCTE |
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||
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NMR experiment |
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Sample preparation
Details | Contents: 3mM CB1a peptide; 20% d-HFP; 95% H2O, 5% D2O / Solvent system: 95% H2O/5% D2O |
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Sample conditions | pH: 4.9 / Pressure: 1 atm / Temperature: 303 K |
-NMR measurement
NMR spectrometer | Type: Bruker Avance / Manufacturer: Bruker / Model: Avance / Field strength: 600 MHz |
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Processing
NMR software | Name: ![]() |
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Refinement | Method: distance geometry, simulated annealing / Software ordinal: 1 |
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 |