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- PDB-6eag: CRYSTAL STRUCTURE OF FUSION INHIBITOR JNJ-2408068 IN COMPLEX WITH... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6eag | |||||||||
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Title | CRYSTAL STRUCTURE OF FUSION INHIBITOR JNJ-2408068 IN COMPLEX WITH HUMAN RESPIRATORY SYNCYTIAL VIRUS FUSION GLYCOPROTEIN ESCAPE VARIANT G143S STABILIZED IN THE PREFUSION STATE | |||||||||
![]() | Fusion glycoprotein F0 | |||||||||
![]() | VIRAL PROTEIN / CLASS I VIRAL FUSION PROTEIN / FUSION / RESPIRATORY SYNCYTIAL VIRUS / PREFUSION / FUSION INHIBITOR | |||||||||
Function / homology | ![]() positive regulation of syncytium formation by virus / Translation of respiratory syncytial virus mRNAs / RSV-host interactions / Maturation of hRSV A proteins / Assembly and release of respiratory syncytial virus (RSV) virions / host cell Golgi membrane / Respiratory syncytial virus (RSV) attachment and entry / entry receptor-mediated virion attachment to host cell / symbiont entry into host cell / fusion of virus membrane with host plasma membrane ...positive regulation of syncytium formation by virus / Translation of respiratory syncytial virus mRNAs / RSV-host interactions / Maturation of hRSV A proteins / Assembly and release of respiratory syncytial virus (RSV) virions / host cell Golgi membrane / Respiratory syncytial virus (RSV) attachment and entry / entry receptor-mediated virion attachment to host cell / symbiont entry into host cell / fusion of virus membrane with host plasma membrane / viral envelope / host cell plasma membrane / virion membrane / identical protein binding / plasma membrane Similarity search - Function | |||||||||
Biological species | ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Battles, M.B. / McLellan, J.S. | |||||||||
Funding support | ![]()
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![]() | ![]() Title: Structural Basis for Respiratory Syncytial Virus Fusion Inhibitor Resistance Authors: Battles, M.B. / McLellan, J.S. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 105 KB | Display | ![]() |
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PDB format | ![]() | 75.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 762.4 KB | Display | ![]() |
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Full document | ![]() | 768 KB | Display | |
Data in XML | ![]() | 17.6 KB | Display | |
Data in CIF | ![]() | 22.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6eadC ![]() 6eaeC ![]() 6eafC ![]() 6eahC ![]() 6eaiC ![]() 6eajC ![]() 6eakC ![]() 6ealC ![]() 6eamC ![]() 6eanC ![]() 5ea3S S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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Unit cell |
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Components on special symmetry positions |
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Components
#1: Protein | Mass: 63248.367 Da / Num. of mol.: 1 / Fragment: RSV F ectodomain / Mutation: S155C, S290C, S190F, V207L, G143S Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() | ||||
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#2: Chemical | ChemComp-NHE / | ||||
#3: Chemical | #4: Chemical | ChemComp-TAR / | #5: Chemical | ChemComp-5NK / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.26 Å3/Da / Density % sol: 62.22 % / Mosaicity: 0.35 ° |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 9.5 / Details: 1.54M K/Na tartrate, 0.2M LiSO4, 0.1M CHES pH 9.5 |
-Data collection
Diffraction | Mean temperature: 80 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Nov 5, 2015 |
Radiation | Monochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9793 Å / Relative weight: 1 |
Reflection | Resolution: 3.3→40.15 Å / Num. obs: 13277 / % possible obs: 99.9 % / Redundancy: 10.1 % / Biso Wilson estimate: 115.02 Å2 / CC1/2: 0.997 / Rmerge(I) obs: 0.221 / Rpim(I) all: 0.073 / Rrim(I) all: 0.233 / Net I/σ(I): 7.6 |
Reflection shell | Resolution: 3.3→3.56 Å / Redundancy: 10.5 % / Rmerge(I) obs: 1.894 / Num. unique obs: 2662 / CC1/2: 0.549 / Rpim(I) all: 0.61 / Rrim(I) all: 1.991 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 5EA3 Resolution: 3.302→39.079 Å / SU ML: 0.44 / Cross valid method: THROUGHOUT / σ(F): 1.33 / Phase error: 24.89
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | ||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 303.37 Å2 / Biso mean: 114.8775 Å2 / Biso min: 51.08 Å2 | ||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 3.302→39.079 Å
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 5 / % reflection obs: 100 %
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