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- PDB-4nag: Xanthomonins I III are a New Class of Lasso Peptides Featuringa S... -
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Open data
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Basic information
Entry | Database: PDB / ID: 4nag | ||||||
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Title | Xanthomonins I III are a New Class of Lasso Peptides Featuringa Seven-Membered Macrolactam Ring | ||||||
![]() | Xanthomonin I | ||||||
![]() | BIOSYNTHETIC PROTEIN / biosynthesis / lasso peptides / natural products / macrocycles / steric hindrance / Lariat knot / Lasso fold | ||||||
Function / homology | HEXANE-1,6-DIOL / Uncharacterized protein![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Hegemann, J.D. / Zimmermann, M. / Zhu, S. / Steuber, H. / Harms, K. / Xie, X. / Marahiel, M.A. | ||||||
![]() | ![]() Title: Xanthomonins I-III: A New Class of Lasso Peptides with a Seven-Residue Macrolactam Ring. Authors: Hegemann, J.D. / Zimmermann, M. / Zhu, S. / Steuber, H. / Harms, K. / Xie, X. / Marahiel, M.A. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 17.5 KB | Display | ![]() |
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PDB format | ![]() | 13.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 400.8 KB | Display | ![]() |
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Full document | ![]() | 400.8 KB | Display | |
Data in XML | ![]() | 4 KB | Display | |
Data in CIF | ![]() | 4.9 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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1 | ![]()
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2 | ![]()
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Unit cell |
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Components
#1: Protein/peptide | Mass: 1470.584 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #2: Chemical | ChemComp-HEZ / | #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.47 Å3/Da / Density % sol: 16.3 % |
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: PSI PILATUS 6M / Detector: PIXEL / Date: Feb 1, 2013 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.8 Å / Relative weight: 1 |
Reflection | Resolution: 0.81→23.55 Å / Num. all: 24760 / Num. obs: 23992 / % possible obs: 84.6 % / Observed criterion σ(F): 4 / Observed criterion σ(I): 2 |
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Processing
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Refinement | Method to determine structure: AB INITIO / Resolution: 0.81→23.55 Å / Num. parameters: 2161 / σ(F): 0 / Stereochemistry target values: ENGH AND HUBER / Details: AUTHOR CONFIRMED THAT R-FREE WAS NOT USED.
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Refine analyze | Num. disordered residues: 2 / Occupancy sum hydrogen: 210 / Occupancy sum non hydrogen: 232.8 | |||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 0.81→23.55 Å
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Refine LS restraints |
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