+Open data
-Basic information
Entry | Database: PDB / ID: 1qfd | ||||||
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Title | NMR SOLUTION STRUCTURE OF ALPHA-AMYLASE INHIBITOR (AAI) | ||||||
Components | PROTEIN (ALPHA-AMYLASE INHIBITOR) | ||||||
Keywords | INHIBITOR | ||||||
Function / homology | alpha-amylase inhibitor activity / Proteinase/amylase inhibitor domain superfamily / endopeptidase inhibitor activity / Alpha-amylase inhibitor AAI Function and homology information | ||||||
Biological species | Amaranthus hypochondriacus (grain amaranth) | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
Authors | Lu, S. / Deng, P. / Liu, X. / Luo, J. / Han, R. / Gu, X. / Liang, S. / Wang, X. / Feng, L. / Lozanov, V. ...Lu, S. / Deng, P. / Liu, X. / Luo, J. / Han, R. / Gu, X. / Liang, S. / Wang, X. / Feng, L. / Lozanov, V. / Patthy, A. / Pongor, S. | ||||||
Citation | Journal: J.Biol.Chem. / Year: 1999 Title: Solution structure of the major alpha-amylase inhibitor of the crop plant amaranth. Authors: Lu, S. / Deng, P. / Liu, X. / Luo, J. / Han, R. / Gu, X. / Liang, S. / Wang, X. / Li, F. / Lozanov, V. / Patthy, A. / Pongor, S. #1: Journal: J.Pept.Res. / Year: 1997 Title: Synthesis and Cystine/Cysteine-Catalyzed Oxidative Folding of the Amaranth Alpha-Amylase Inhibitor Authors: Lozanov, V. / Guarnaccia, C. / Patthy, A. / Foti, S. / Pongor, S. #2: Journal: J.Biol.Chem. / Year: 1994 Title: A Novel Alpha-Amylase Inhibitor from Amaranth (Amaranthus Hypocondriacus)Seeds Authors: Chagolla-Lopez, A. / Blanco-Labra, A. / Patthy, A. / Sanchez, R. / Pongor, S. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1qfd.cif.gz | 96.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1qfd.ent.gz | 77.3 KB | Display | PDB format |
PDBx/mmJSON format | 1qfd.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1qfd_validation.pdf.gz | 342.6 KB | Display | wwPDB validaton report |
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Full document | 1qfd_full_validation.pdf.gz | 388.4 KB | Display | |
Data in XML | 1qfd_validation.xml.gz | 7 KB | Display | |
Data in CIF | 1qfd_validation.cif.gz | 10.6 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/qf/1qfd ftp://data.pdbj.org/pub/pdb/validation_reports/qf/1qfd | 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: 3595.113 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: SYNTHETIC SEQUENCE Source: (natural) Amaranthus hypochondriacus (grain amaranth) Organ: SEED / References: UniProt: P80403 |
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Has protein modification | Y |
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||
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NMR experiment |
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-Sample preparation
Details | Contents: 90% WATER/10% D2O |
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Sample conditions | Ionic strength: 20 mM / pH: 6.5 / Pressure: 1 atm / Temperature: 300 K |
Crystal grow | *PLUS Method: other / Details: NMR |
-NMR measurement
NMR spectrometer | Type: Bruker AMX500 / Manufacturer: Bruker / Model: AMX500 / Field strength: 500 MHz |
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-Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 1 | ||||||||||||||||
NMR ensemble | Conformer selection criteria: LEAST RESTRAINT VIOLATION AND RESULT OF PROCHECK Conformers calculated total number: 50 / Conformers submitted total number: 10 |