+Open data
-Basic information
Entry | Database: PDB / ID: 1s6w | ||||||
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Title | Solution Structure of hybrid white striped bass hepcidin | ||||||
Components | Hepcidin | ||||||
Keywords | ANTIBIOTIC / two strand antiparalell beta sheet | ||||||
Function / homology | Hepcidin / Hepcidin / hormone activity / intracellular iron ion homeostasis / defense response to bacterium / extracellular region / Hepcidin Function and homology information | ||||||
Method | SOLUTION NMR / simulated annealing, molecular dynamics torsion angle dynamics | ||||||
Authors | Babon, J.J. / Singh, S. / Pennington, M.W. / Norton, R.S. / Westerman, M.E. | ||||||
Citation | Journal: J.Biol.Chem. / Year: 2005 Title: Bass hepcidin synthesis, solution structure, antimicrobial activities and synergism, and in vivo hepatic response to bacterial infections. Authors: Lauth, X. / Babon, J.J. / Stannard, J.A. / Singh, S. / Nizet, V. / Carlberg, J.M. / Ostland, V.E. / Pennington, M.W. / Norton, R.S. / Westerman, M.E. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1s6w.cif.gz | 98.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1s6w.ent.gz | 76.8 KB | Display | PDB format |
PDBx/mmJSON format | 1s6w.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1s6w_validation.pdf.gz | 336.3 KB | Display | wwPDB validaton report |
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Full document | 1s6w_full_validation.pdf.gz | 446.2 KB | Display | |
Data in XML | 1s6w_validation.xml.gz | 7.9 KB | Display | |
Data in CIF | 1s6w_validation.cif.gz | 12.6 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/s6/1s6w ftp://data.pdbj.org/pub/pdb/validation_reports/s6/1s6w | HTTPS FTP |
-Related structure data
Similar structure data |
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-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein/peptide | Mass: 2265.773 Da / Num. of mol.: 1 / Fragment: hepcidin, mature form (residues 65-85) / Source method: obtained synthetically Details: the protein was chemically synthesized, the sequence of the protein occurs naturally in hybrid white striped bass References: UniProt: P82951 |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||
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NMR experiment |
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NMR details | Text: this structure was determined using standard 2D homonuclear techniques and chemical shift data was obtained using standard 2D heteronuclear techniques performed at natural abundance isotope levels |
-Sample preparation
Details |
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Sample conditions |
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-NMR measurement
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M | |||||||||||||||
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Radiation wavelength | Relative weight: 1 | |||||||||||||||
NMR spectrometer |
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-Processing
NMR software |
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Refinement | Method: simulated annealing, molecular dynamics torsion angle dynamics Software ordinal: 1 Details: the structures are based on 188 NOE-derived distance constraints, 238 dihedral angle restraints, 4 distance restraintsfrom hydrogen bonds | ||||||||||||||||||||
NMR representative | Selection criteria: closest to the average | ||||||||||||||||||||
NMR ensemble | Conformer selection criteria: The submitted conformer models are the 20 structures with the lowest energy Conformers calculated total number: 100 / Conformers submitted total number: 20 |