+Open data
-Basic information
Entry | Database: PDB / ID: 7vw9 | ||||||
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Title | Helicoverpa armigera pheromone-binding protein PBP1 at pH 5.5 | ||||||
Components | PBP1 | ||||||
Keywords | TRANSPORT PROTEIN / Helicoverpa armigera / Pheromone binding protein / Ligand binding mechanism | ||||||
Function / homology | Odorant/pheromone binding protein, Lepidoptera / Insect pheromone/odorant binding protein domains. / Pheromone/general odorant binding protein / PBP/GOBP family / Pheromone/general odorant binding protein superfamily / odorant binding / PBP1 Function and homology information | ||||||
Biological species | Helicoverpa armigera (cotton bollworm) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.05 Å | ||||||
Authors | Zheng, J. / Chen, Z. | ||||||
Funding support | China, 1items
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Citation | Journal: Int J Mol Sci / Year: 2022 Title: Structural Insights into the Ligand-Binding and -Releasing Mechanism of Helicoverpa armigera Pheromone-Binding Protein PBP1. Authors: Zheng, J. / Yang, M. / Dong, K. / Zhang, J. / Wang, H. / Xie, M. / Wu, W. / Zhang, Y.J. / Chen, Z. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 7vw9.cif.gz | 42.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb7vw9.ent.gz | 26.5 KB | Display | PDB format |
PDBx/mmJSON format | 7vw9.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/vw/7vw9 ftp://data.pdbj.org/pub/pdb/validation_reports/vw/7vw9 | HTTPS FTP |
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-Related structure data
Related structure data | 7vw8SC 7vwaC S: Starting model for refinement 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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Unit cell |
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-Components
#1: Protein | Mass: 16384.785 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Helicoverpa armigera (cotton bollworm) / Gene: HaOG200775, B5X24_HaOG200775 / Production host: Escherichia coli (E. coli) / References: UniProt: F5ANH9 |
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#2: 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: 1.8 Å3/Da / Density % sol: 31.79 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 5.5 / Details: peg |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: SSRF / Beamline: BL17U / Wavelength: 0.9792 Å |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Oct 8, 2014 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9792 Å / Relative weight: 1 |
Reflection | Resolution: 2.05→50 Å / Num. obs: 7557 / % possible obs: 95.6 % / Redundancy: 3.5 % / CC1/2: 0.992 / Rmerge(I) obs: 0.05 / Net I/σ(I): 41.2 |
Reflection shell | Resolution: 2.05→2.09 Å / Num. unique obs: 344 / CC1/2: 0.977 / Rsym value: 0.214 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 7VW8 Resolution: 2.05→50 Å / Cor.coef. Fo:Fc: 0.94 / Cor.coef. Fo:Fc free: 0.908 / SU B: 6.025 / SU ML: 0.159 / Cross valid method: THROUGHOUT / ESU R: 0.304 / ESU R Free: 0.222 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 42.406 Å2
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Refinement step | Cycle: 1 / Resolution: 2.05→50 Å
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Refine LS restraints |
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