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Yorodumi- PDB-1jbn: Solution structure of an acyclic permutant of SFTI-1, A trypsin i... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1jbn | ||||||
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Title | Solution structure of an acyclic permutant of SFTI-1, A trypsin inhibitor from sunflower seeds | ||||||
Components | CYCLIC TRYPSIN INHIBITOR | ||||||
Keywords | PROTEIN BINDING / beta sheet / 1 disulfide bridge / linear backbone / 14/1-LSFTI-1 | ||||||
Function / homology | negative regulation of endopeptidase activity / endopeptidase inhibitor activity / serine-type endopeptidase inhibitor activity / protease binding / acyclic trypsin inhibitor / Trypsin inhibitor 1 Function and homology information | ||||||
Biological species | Helianthus annuus (common sunflower) | ||||||
Method | SOLUTION NMR / simulated annealing, refinement with modified CSDX force field | ||||||
Authors | Korsinczky, M.L.J. / Schirra, H.J. / Rosengren, K.J. / West, J. / Condie, B.A. / Otvos, L. / Anderson, M.A. / Craik, D.J. | ||||||
Citation | Journal: J.Mol.Biol. / Year: 2001 Title: Solution structures by 1H NMR of the novel cyclic trypsin inhibitor SFTI-1 from sunflower seeds and an acyclic permutant. Authors: Korsinczky, M.L. / Schirra, H.J. / Rosengren, K.J. / West, J. / Condie, B.A. / Otvos, L. / Anderson, M.A. / Craik, D.J. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1jbn.cif.gz | 76.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1jbn.ent.gz | 56.9 KB | Display | PDB format |
PDBx/mmJSON format | 1jbn.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1jbn_validation.pdf.gz | 333.2 KB | Display | wwPDB validaton report |
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Full document | 1jbn_full_validation.pdf.gz | 437.4 KB | Display | |
Data in XML | 1jbn_validation.xml.gz | 6.9 KB | Display | |
Data in CIF | 1jbn_validation.cif.gz | 10.5 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/jb/1jbn ftp://data.pdbj.org/pub/pdb/validation_reports/jb/1jbn | HTTPS FTP |
-Related structure data
-Links
-Assembly
Deposited unit |
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NMR ensembles |
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-Components
-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. |
-Sample preparation
Details |
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Sample conditions |
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Crystal grow | *PLUS Method: other / Details: NMR |
-NMR measurement
NMR spectrometer |
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-Processing
NMR software |
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Refinement | Method: simulated annealing, refinement with modified CSDX force field Software ordinal: 1 Details: 162 distance constraints, 73 sequential, 18 medium range, 68 long range, 6 chi1 angle constraints, 7 phi angle constraints | ||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the least restraint violations,structures with the lowest energy Conformers calculated total number: 50 / Conformers submitted total number: 20 |