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Yorodumi- PDB-1jcp: Solution structure of the lactam analogue EDap of HIV gp41 600-61... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1jcp | ||||||
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Title | Solution structure of the lactam analogue EDap of HIV gp41 600-612 loop. | ||||||
Components | Edap : ACE-Ile-Trp-Glu-Ser-Gly-Lys-Leu-Ile-Dap-Thr-Thr-Ala ANALOGUE OF HIV GP41 | ||||||
Keywords | VIRAL PROTEIN / cyclic peptide / gp41 / HIV / lactam bond / pseudopeptide. | ||||||
Function / homology | Function and homology information Dectin-2 family / positive regulation of plasma membrane raft polarization / positive regulation of receptor clustering / positive regulation of establishment of T cell polarity / host cell endosome membrane / clathrin-dependent endocytosis of virus by host cell / viral protein processing / fusion of virus membrane with host plasma membrane / virus-mediated perturbation of host defense response / fusion of virus membrane with host endosome membrane ...Dectin-2 family / positive regulation of plasma membrane raft polarization / positive regulation of receptor clustering / positive regulation of establishment of T cell polarity / host cell endosome membrane / clathrin-dependent endocytosis of virus by host cell / viral protein processing / fusion of virus membrane with host plasma membrane / virus-mediated perturbation of host defense response / fusion of virus membrane with host endosome membrane / viral envelope / virion attachment to host cell / host cell plasma membrane / structural molecule activity / virion membrane / membrane Similarity search - Function | ||||||
Method | SOLUTION NMR / torsion angle dynamics, molecular dynamics, energy minimization. | ||||||
Authors | Phan Chan Du, A. / Limal, D. / Semetey, V. / Dali, H. / Jolivet, M. / Desgranges, C. / Cung, M.T. / Briand, J.P. / Petit, M.C. / Muller, S. | ||||||
Citation | Journal: J.Mol.Biol. / Year: 2002 Title: Structural and immunological characterisation of heteroclitic peptide analogues corresponding to the 600-612 region of the HIV envelope gp41 glycoprotein. Authors: Du, A.P. / Limal, D. / Semetey, V. / Dali, H. / Jolivet, M. / Desgranges, C. / Cung, M.T. / Briand, J.P. / Petit, M.C. / Muller, S. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1jcp.cif.gz | 75.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1jcp.ent.gz | 55.6 KB | Display | PDB format |
PDBx/mmJSON format | 1jcp.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1jcp_validation.pdf.gz | 356.6 KB | Display | wwPDB validaton report |
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Full document | 1jcp_full_validation.pdf.gz | 417.7 KB | Display | |
Data in XML | 1jcp_validation.xml.gz | 6.6 KB | Display | |
Data in CIF | 1jcp_validation.cif.gz | 10.2 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/jc/1jcp ftp://data.pdbj.org/pub/pdb/validation_reports/jc/1jcp | HTTPS FTP |
-Related structure data
Related structure data | 1im7C 1j8nC 1j8zC 1j9vC 1jaaC 1jarC 1jc8C 1jd8C 1jdkC C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein/peptide | Mass: 1388.589 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Details: The parent peptide (IWGCSGKLICTTA) occurs naturally in HIV gp41. References: UniProt: P12488 |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||
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NMR experiment |
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NMR details | Text: Classical 2D homonuclear NMR techniques were used. Different NOESY experiments with different mixing times from 80ms to 800ms were recorded in order to determine the best conditions without spin diffusion. |
-Sample preparation
Details | Contents: 4mM peptide in 500ul solvent / Solvent system: 100% DMSO-D6 |
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Sample conditions | Pressure: atmospheric atm / Temperature: 298 K |
-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: torsion angle dynamics, molecular dynamics, energy minimization. Software ordinal: 1 Details: 50 initial structures were generated using DYANA software, followed by 500 ps restrained energy minimization. Then using DISCOVER 35 ps MD, 750ps conjugated gradient EM . | ||||||||||||||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: target function / Conformers calculated total number: 50 / Conformers submitted total number: 20 |