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- PDB-6nro: Human parainfluenza virus type 3 fusion protein N-terminal heptad... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6nro | |||||||||
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Title | Human parainfluenza virus type 3 fusion protein N-terminal heptad repeat domain+VIQKI | |||||||||
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![]() | ANTIVIRAL PROTEIN / Fusion protein / fusion inhibitor / six-helix bundle | |||||||||
Function / homology | ![]() membrane => GO:0016020 / symbiont entry into host cell / fusion of virus membrane with host plasma membrane / viral envelope / host cell plasma membrane / virion membrane / membrane / plasma membrane Similarity search - Function | |||||||||
Biological species | ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Outlaw, V.K. / Kreitler, D.F. / Gellman, S.H. | |||||||||
Funding support | ![]()
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![]() | ![]() Title: Dual Inhibition of Human Parainfluenza Type 3 and Respiratory Syncytial Virus Infectivity with a Single Agent. Authors: Outlaw, V.K. / Bottom-Tanzer, S. / Kreitler, D.F. / Gellman, S.H. / Porotto, M. / Moscona, A. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 157.7 KB | Display | ![]() |
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PDB format | ![]() | 127.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 465.6 KB | Display | ![]() |
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Full document | ![]() | 466 KB | Display | |
Data in XML | ![]() | 11.6 KB | Display | |
Data in CIF | ![]() | 16 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6ntxC ![]() 6nyxC ![]() 1ztmS 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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Unit cell |
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Components
#1: Protein | Mass: 5656.473 Da / Num. of mol.: 3 / Fragment: UNP residues 139-189 / Source method: obtained synthetically Details: This compound is derived from residues 139-189 of the HPIV3 fusion glycoprotein. It is acetylated at the N-terminus and amidated at the C-terminus. Source: (synth.) ![]() #2: Protein/peptide | Mass: 4194.895 Da / Num. of mol.: 3 / Fragment: 449-484 / Mutation: E459V, A463I, D466Q, Q479K, K480I / Source method: obtained synthetically Details: VIQKI is a synthetic peptide derived from residues 449-484 of the HPIV3 fusion glycoprotein C-terminal heptad repeat domain with substitutions E459V, A463I, D466Q, Q479K and K480I. It is ...Details: VIQKI is a synthetic peptide derived from residues 449-484 of the HPIV3 fusion glycoprotein C-terminal heptad repeat domain with substitutions E459V, A463I, D466Q, Q479K and K480I. It is acetylated at the N-terminus and amidated at the C-terminus. Source: (synth.) ![]() #3: Chemical | ChemComp-CA / | #4: Chemical | ChemComp-PEG / | #5: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.88 Å3/Da / Density % sol: 34.56 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 30 mM NaF, 30 mM NaBr, 30 mM NaI, 20% (v/v) PEG 500 MME, 10% (w/v) PEG 20000 in 100 mM imidazole/MES monohydrate buffer (pH 6.5)20% (v/v) PEG 500 MME, 10% (w/v) PEG 20000 in 100 mM ...Details: 30 mM NaF, 30 mM NaBr, 30 mM NaI, 20% (v/v) PEG 500 MME, 10% (w/v) PEG 20000 in 100 mM imidazole/MES monohydrate buffer (pH 6.5)20% (v/v) PEG 500 MME, 10% (w/v) PEG 20000 in 100 mM imidazole/MES monohydrate buffer (pH 6.5) |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Mar 25, 2018 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.033 Å / Relative weight: 1 |
Reflection | Resolution: 1.75→39.293 Å / Num. obs: 22158 / % possible obs: 99.5 % / Redundancy: 6.6 % / Biso Wilson estimate: 36.72 Å2 / CC1/2: 1 / Rpim(I) all: 0.01925 / Rrim(I) all: 0.04893 / Rsym value: 0.04488 / Net I/σ(I): 18.26 |
Reflection shell | Resolution: 1.75→1.813 Å / Redundancy: 6.5 % / Mean I/σ(I) obs: 1.45 / Num. unique obs: 2189 / CC1/2: 0.726 / Rpim(I) all: 0.48 / Rrim(I) all: 1.238 / Rsym value: 1.139 / % possible all: 99.95 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 1ZTM Resolution: 1.75→39.293 Å / SU ML: 0.25 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 28.83
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 305.93 Å2 / Biso mean: 54.3386 Å2 / Biso min: 26.48 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 1.75→39.293 Å
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 14
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Refinement TLS params. | Method: refined / Origin x: -6.7167 Å / Origin y: -8.1854 Å / Origin z: -20.1981 Å
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Refinement TLS group |
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