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Yorodumi- PDB-1j9v: Solution structure of a lactam analogue (DabD) of HIV gp41 600-61... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1j9v | ||||||
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Title | Solution structure of a lactam analogue (DabD) of HIV gp41 600-612 loop. | ||||||
Components | DabD (Ace)IWG(DAB)SGKLIDTTA ANALOGUE OF HIV GP41 | ||||||
Keywords | VIRAL PROTEIN / lactam peptide / lactam bond / HIV / gp41 / cyclic peptide | ||||||
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 / virus-mediated perturbation of host defense response / host cell endosome membrane / clathrin-dependent endocytosis of virus by host cell / viral protein processing / fusion of virus membrane with host plasma membrane / 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 / virus-mediated perturbation of host defense response / host cell endosome membrane / clathrin-dependent endocytosis of virus by host cell / viral protein processing / fusion of virus membrane with host plasma membrane / fusion of virus membrane with host endosome membrane / viral envelope / virion attachment to host cell / host cell plasma membrane / virion membrane / structural molecule activity / membrane Similarity search - Function | ||||||
Method | SOLUTION NMR / Torsion angle dinamics, 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 | 1j9v.cif.gz | 164.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1j9v.ent.gz | 123.3 KB | Display | PDB format |
PDBx/mmJSON format | 1j9v.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/j9/1j9v ftp://data.pdbj.org/pub/pdb/validation_reports/j9/1j9v | HTTPS FTP |
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-Related structure data
Related structure data | 1im7C 1j8nC 1j8zC 1jaaC 1jarC 1jc8C 1jcpC 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: obtained synthetically Details: The parent peptide (IWGCSGKLICTTA) occurs in HIV gp41 glycoprotein. 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: This structure was determined using standard 2D homonuclear techniques. Different NOESY experiments with mixing times from 80 ms to 800 ms were recorded, in order to determined the best ...Text: This structure was determined using standard 2D homonuclear techniques. Different NOESY experiments with mixing times from 80 ms to 800 ms were recorded, in order to determined the best conditions avoiding spin diffusion. |
-Sample preparation
Details | Contents: 3,5 mM peptide in 500ul DMSO-D6 / Solvent system: DMSO-D6 |
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Sample conditions | Pressure: ambient / 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 dinamics, molecular dynamics, energy minimization. Software ordinal: 1 Details: 50 INITIAL RANDOM STRUCTURES WERE GENERATED USING SIMULATED ANNEALING IN DYANA SOFTWARE, FOLLOWED BY 500PS RESTRAINED MINIMIZATION, 35PS MD IN VACUO AT 300K, 200 PS MD UNDER NMR RESTRAINTS ...Details: 50 INITIAL RANDOM STRUCTURES WERE GENERATED USING SIMULATED ANNEALING IN DYANA SOFTWARE, FOLLOWED BY 500PS RESTRAINED MINIMIZATION, 35PS MD IN VACUO AT 300K, 200 PS MD UNDER NMR RESTRAINTS AND 750 STEPS CONJUGATED GRADIENT EM USING DISCOVER OF MSI SOFTWARE | ||||||||||||||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: target function / Conformers calculated total number: 50 / Conformers submitted total number: 49 |