+Open data
-Basic information
Entry | Database: PDB / ID: 7ek0 | ||||||
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Title | Complex Structure of antibody BD-503 and RBD-N501Y of COVID-19 | ||||||
Components |
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Keywords | VIRAL PROTEIN/IMMUNE SYSTEM / COVID-19 / SARS-CoV-2 / Neutralization Antibody / ANTIVIRAL PROTEIN / VIRAL PROTEIN-IMMUNE SYSTEM complex | ||||||
Function / homology | Function and homology information 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 / entry receptor-mediated virion attachment to host cell ...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 / entry receptor-mediated virion attachment to host cell / host cell endoplasmic reticulum-Golgi intermediate compartment membrane / receptor-mediated endocytosis of virus by host cell / membrane fusion / Attachment and Entry / positive regulation of viral entry into host cell / receptor-mediated virion attachment to host cell / receptor ligand activity / host cell surface receptor binding / fusion of virus membrane with host plasma membrane / fusion of virus membrane with host endosome membrane / viral envelope / virion attachment to host cell / SARS-CoV-2 activates/modulates innate and adaptive immune responses / host cell plasma membrane / virion membrane / identical protein binding / membrane / plasma membrane Similarity search - Function | ||||||
Biological species | Severe acute respiratory syndrome coronavirus 2 Homo sapiens (human) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.7 Å | ||||||
Authors | Xu, H. / Wang, B. / Zhao, T.N. / Su, X.D. | ||||||
Citation | Journal: Cell Res. / Year: 2021 Title: Structure-based analyses of neutralization antibodies interacting with naturally occurring SARS-CoV-2 RBD variants. Authors: Xu, H. / Wang, B. / Zhao, T.N. / Liang, Z.T. / Peng, T.B. / Song, X.H. / Wu, J.J. / Wang, Y.C. / Su, X.D. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 7ek0.cif.gz | 248.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb7ek0.ent.gz | 198.8 KB | Display | PDB format |
PDBx/mmJSON format | 7ek0.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 7ek0_validation.pdf.gz | 442.5 KB | Display | wwPDB validaton report |
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Full document | 7ek0_full_validation.pdf.gz | 451.5 KB | Display | |
Data in XML | 7ek0_validation.xml.gz | 23.1 KB | Display | |
Data in CIF | 7ek0_validation.cif.gz | 31.5 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ek/7ek0 ftp://data.pdbj.org/pub/pdb/validation_reports/ek/7ek0 | HTTPS FTP |
-Related structure data
Related structure data | 7ejyC 7ejzC 7f6yC 7f6zC 7bwjS S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data | Similarity search - Function & homologyF&H Search |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 25171.408 Da / Num. of mol.: 1 / Fragment: Receptor binding domain / Mutation: N501Y Source method: isolated from a genetically manipulated source Source: (gene. exp.) Severe acute respiratory syndrome coronavirus 2 Gene: S, 2 / Production host: Homo sapiens (human) / References: UniProt: P0DTC2 |
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#2: Antibody | Mass: 23215.023 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human) |
#3: Antibody | Mass: 23415.973 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Production host: Homo sapiens (human) |
#4: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 3.11 Å3/Da / Density % sol: 60.41 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, sitting drop / Details: 0.1M Sodium citrate, pH 5.5, 15% (w/v) PEG 6000 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: SSRF / Beamline: BL17U1 / Wavelength: 0.9795 Å |
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jan 16, 2021 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9795 Å / Relative weight: 1 |
Reflection | Resolution: 2.7→42.54 Å / Num. obs: 23686 / % possible obs: 94.68 % / Redundancy: 13.1 % / Biso Wilson estimate: 41.8 Å2 / CC1/2: 0.991 / CC star: 0.998 / Rmerge(I) obs: 0.232 / Rpim(I) all: 0.0668 / Rrim(I) all: 0.2417 / Net I/σ(I): 16.64 |
Reflection shell | Resolution: 2.7→2.8 Å / Redundancy: 13.6 % / Mean I/σ(I) obs: 1.84 / Num. unique obs: 1595 / CC1/2: 0.799 / CC star: 0.943 / Rpim(I) all: 0.3411 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 7BWJ Resolution: 2.7→42.54 Å / SU ML: 0.35 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 26.93 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 120.48 Å2 / Biso mean: 44.7866 Å2 / Biso min: 19.54 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 2.7→42.54 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: -2.1507 Å / Origin y: -40.8417 Å / Origin z: -5.0247 Å
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Refinement TLS group |
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