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- PDB-7p5s: NMR structure of a peptide deriving from SARS-CoV-2 Lineages P.1 ... -
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Open data
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Basic information
Entry | Database: PDB / ID: 7p5s | |||||||||
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Title | NMR structure of a peptide deriving from SARS-CoV-2 Lineages P.1 and B.1.351 S RBD 482-506 fragment in HFIP/H2O | |||||||||
![]() | Spike glycoprotein![]() | |||||||||
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Function / homology | ![]() Maturation of spike protein / viral translation / Translation of Structural Proteins / Virion Assembly and Release / host cell surface / host extracellular space / suppression by virus of host tetherin activity / Induction of Cell-Cell Fusion / structural constituent of virion / host cell endoplasmic reticulum-Golgi intermediate compartment membrane ...Maturation of spike protein / viral translation / Translation of Structural Proteins / Virion Assembly and Release / host cell surface / host extracellular space / suppression by virus of host tetherin activity / Induction of Cell-Cell Fusion / structural constituent of virion / host cell endoplasmic reticulum-Golgi intermediate compartment membrane / entry receptor-mediated virion attachment to host cell / receptor-mediated endocytosis of virus by host cell / Attachment and Entry / ![]() ![]() ![]() ![]() ![]() Similarity search - Function | |||||||||
Biological species | ![]() ![]() ![]() | |||||||||
Method | ![]() | |||||||||
![]() | Santoro, A. / Buonocore, M. / Grimaldi, M. / D'Ursi, A.M. | |||||||||
Funding support | 1items
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![]() | ![]() Title: Structural analysis of a simplified model reproducing SARS-CoV-2 S RBD/ACE2 binding site. Authors: Buonocore, M. / Santoro, A. / Grimaldi, M. / Covelli, V. / Firoznezhad, M. / Rodriquez, M. / Santin, M. / D'Ursi, A.M. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 261.1 KB | Display | ![]() |
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PDB format | ![]() | 165.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
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-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 7p55C ![]() 7p5gC ![]() 7p5qC C: citing same article ( |
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Similar structure data | Similarity search - Function & homology ![]() |
Other databases |
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Links
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Assembly
Deposited unit | ![]()
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NMR ensembles |
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Components
#1: Protein/peptide | ![]() Mass: 2822.133 Da / Num. of mol.: 1 / Mutation: E484K, N501Y / Source method: obtained synthetically Source: (synth.) ![]() ![]() ![]() References: UniProt: P0DTC2 |
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-Experimental details
-Experiment
Experiment | Method: ![]() | ||||||||||||||||||||||||
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NMR experiment |
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Sample preparation
Details | Type: solution Contents: 2.5 mM SMIMIC-bg, 50 % v/v Hexafluoroisopropanol, 40 % v/v H2O, 10 % v/v [U-100% 2H] D2O, 50% hexafluoroisopropanol/40% H2O/10% D2O Label: SMIMIC-bg / Solvent system: 50% hexafluoroisopropanol/40% H2O/10% D2O | ||||||||||||||||||||
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Sample |
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Sample conditions | Ionic strength: 0 Not defined / Label: 1 / pH: 2.5 / PH err: 0.1 / Pressure: 1 atm / Temperature: 298 K |
-NMR measurement
NMR spectrometer | Type: Bruker AVANCE II / Manufacturer: Bruker / Model![]() |
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Processing
NMR software |
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Refinement | Method: torsion angle dynamics / Software ordinal: 3 | |||||||||||||||
NMR representative | Selection criteria: lowest energy | |||||||||||||||
NMR ensemble | Conformer selection criteria: target function / Conformers calculated total number: 100 / Conformers submitted total number: 35 |