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Yorodumi- PDB-1dl0: SOLUTION STRUCTURE OF THE INSECTICIDAL NEUROTOXIN J-ATRACOTOXIN-HV1C -
+Open data
-Basic information
Entry | Database: PDB / ID: 1dl0 | ||||||
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Title | SOLUTION STRUCTURE OF THE INSECTICIDAL NEUROTOXIN J-ATRACOTOXIN-HV1C | ||||||
Components | J-ATRACOTOXIN-HV1C | ||||||
Keywords | TOXIN / NEUROTOXIN / ATRACOTOXIN / INSECTICIDAL / CYSTINE KNOT / VICINAL DISULFIDE | ||||||
Function / homology | Janus-atracotoxin / Janus-atracotoxin / Janus-faced atracotoxin (J-ACTX) family signature. / : / toxin activity / extracellular region / Kappa-hexatoxin-Hv1c Function and homology information | ||||||
Method | SOLUTION NMR / DYNAMICAL SIMULATED ANNEALING | ||||||
Authors | Wang, X.H. / King, G.F. | ||||||
Citation | Journal: Nat.Struct.Biol. / Year: 2000 Title: Discovery and characterization of a family of insecticidal neurotoxins with a rare vicinal disulfide bridge. Authors: Wang, X. / Connor, M. / Smith, R. / Maciejewski, M.W. / Howden, M.E. / Nicholson, G.M. / Christie, M.J. / King, G.F. #1: Journal: Nat.Struct.Biol. / Year: 1997 Title: The Structure of a Novel Insecticidal Neurotoxin, Omega-Atracotoxin-HV1, from the Venom of an Australian Funnel Web Spider Authors: Fletcher, J.I. / Smith, R. / O'Donoghue, S.I. / Nilges, M. / Connor, M. / Howden, M.E.H. / Christie, M.J. / King, G.F. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1dl0.cif.gz | 191.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1dl0.ent.gz | 166.9 KB | Display | PDB format |
PDBx/mmJSON format | 1dl0.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1dl0_validation.pdf.gz | 340.9 KB | Display | wwPDB validaton report |
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Full document | 1dl0_full_validation.pdf.gz | 434.3 KB | Display | |
Data in XML | 1dl0_validation.xml.gz | 11.5 KB | Display | |
Data in CIF | 1dl0_validation.cif.gz | 19.5 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/dl/1dl0 ftp://data.pdbj.org/pub/pdb/validation_reports/dl/1dl0 | 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: 3772.317 Da / Num. of mol.: 1 / Source method: obtained synthetically Details: THIS SEQUENCE OCCURS NATURALLY IN THE SPIDER, HADRONYCHE VERSUTA. THE PEPTIDE WAS CHEMICALLY SYNTHESIZED FOR NMR STUDIES USING STANDARD T-BOC CHEMISTRY AND OXIDIZED/FOLDED IN A GLUTATHIONE REDOX BUFFER. References: UniProt: P82228 |
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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 NMR TECHNIQUES. |
-Sample preparation
Details |
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Sample conditions | Ionic strength: 0.005 / pH: 4.95 / Pressure: 1 atm / Temperature: 298 K | ||||||
Crystal grow | *PLUS Method: other / Details: NMR |
-NMR measurement
NMR spectrometer | Type: Bruker AVANCE / Manufacturer: Bruker / Model: AVANCE / Field strength: 600 MHz |
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-Processing
NMR software |
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Refinement | Method: DYNAMICAL SIMULATED ANNEALING / Software ordinal: 1 Details: THE STRUCTURES ARE BASED ON A TOTAL OF 403 NOE-DERIVED DISTANCE RESTRAINTS, 41 DIHEDRAL-ANGLE RESTRAINTS, PLUS 56 RESTRAINTS DEFINING 14 HYDROGEN BONDS. | ||||||||||||||||||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 100 / Conformers submitted total number: 20 |