+Open data
-Basic information
Entry | Database: PDB / ID: 1ob7 | ||||||
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Title | Cephaibol C | ||||||
Components | CEPHAIBOL C | ||||||
Keywords | ANTIBIOTIC / ION CHANNEL / CEPHAIBOL / PEPTAIBOL / ANTIBACTERIAL / ANTIFUNGAL | ||||||
Function / homology | Cephaibol C / ETHANOL / : Function and homology information | ||||||
Biological species | ACREMONIUM TUBAKII (fungus) | ||||||
Method | X-RAY DIFFRACTION / DIRECT METHODS / Resolution: 0.89 Å | ||||||
Authors | Bunkoczi, G. / Schiell, M. / Vertesy, L. / Sheldrick, G.M. | ||||||
Citation | Journal: J.Pept.Sci. / Year: 2003 Title: Crystal Structures of Cephaibols Authors: Bunkoczi, G. / Schiell, M. / Vertesy, L. / Sheldrick, G.M. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1ob7.cif.gz | 15.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1ob7.ent.gz | 11.2 KB | Display | PDB format |
PDBx/mmJSON format | 1ob7.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ob/1ob7 ftp://data.pdbj.org/pub/pdb/validation_reports/ob/1ob7 | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein/peptide | Type: Peptaibol / Class: Antibiotic / Mass: 1654.991 Da / Num. of mol.: 1 / Source method: isolated from a natural source Details: CEPHAIBOL C IS A HEXADECAMERIC HELICAL PEPTIDE. THE N-TERM IS ACETYLATED (RESIDUE 0) Source: (natural) ACREMONIUM TUBAKII (fungus) / References: NOR: NOR00972, Cephaibol C | ||||||||
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#2: Chemical | #3: Chemical | ChemComp-NA / | #4: Water | ChemComp-HOH / | Compound details | CEPHAIBOL C IS LINEAR PEPTIDE, A MEMBER OF THE PEPTAIBOL FAMILY OF MEMBRANE CHANNEL FORMING ...CEPHAIBOL C IS LINEAR PEPTIDE, A MEMBER OF THE PEPTAIBOL FAMILY OF MEMBRANE CHANNEL FORMING PEPTIDES. HERE, CEPHAIBOL C IS REPRESENTE | Sequence details | SLIGHT CONTAMINAT | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 1.6 Å3/Da / Density % sol: 23 % | ||||||||||||||||||||||||
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Crystal grow | pH: 4.6 / Details: 0.1 M NAAC/HAC PH=4.60, 38% ETOH | ||||||||||||||||||||||||
Crystal grow | *PLUS Method: vapor diffusion, hanging drop / PH range low: 4.8 / PH range high: 4.2 | ||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ROTATING ANODE / Type: BRUKER M06XCE / Wavelength: 1.5418 |
Detector | Type: BRUKER SMART 6000 / Detector: CCD / Date: May 15, 2002 / Details: MIRRORS |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 0.89→28.62 Å / Num. obs: 8776 / % possible obs: 99.3 % / Redundancy: 8.69 % / Rmerge(I) obs: 0.0306 / Net I/σ(I): 50.44 |
Reflection shell | Resolution: 0.89→1 Å / Redundancy: 4.36 % / Rmerge(I) obs: 0.0349 / Mean I/σ(I) obs: 26.51 / % possible all: 97.6 |
Reflection | *PLUS Highest resolution: 0.89 Å / Num. measured all: 76788 / Rmerge(I) obs: 0.0306 |
Reflection shell | *PLUS % possible obs: 97.6 % / Rmerge(I) obs: 0.0349 / Mean I/σ(I) obs: 26.51 |
-Processing
Software |
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Refinement | Method to determine structure: DIRECT METHODS / Resolution: 0.89→28.62 Å / Num. parameters: 1294 / Num. restraintsaints: 1519 / Cross valid method: FREE R-VALUE / σ(F): 0 StereochEM target val spec case: RESTRAINTS FOR AIB, DIV, HYP AND PHL FROM ANTIAMOEBIN (PDB 1JOH) Stereochemistry target values: ENGH AND HUBER
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Solvent computation | Solvent model: MOEWS & KRETSINGER | |||||||||||||||||||||||||||||||||
Refine analyze | Num. disordered residues: 1 / Occupancy sum hydrogen: 122.8 / Occupancy sum non hydrogen: 134.9 | |||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 0.89→28.62 Å
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Refine LS restraints |
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Software | *PLUS Name: SHELXL / Version: 97 / Classification: refinement | |||||||||||||||||||||||||||||||||
Refinement | *PLUS Rfactor Rwork: 0.0719 | |||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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