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- PDB-7vwa: Helicoverpa armigera pheromone-binding protein PBP1 with Z-9-hexa... -
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Open data
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Basic information
Entry | Database: PDB / ID: 7vwa | ||||||
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Title | Helicoverpa armigera pheromone-binding protein PBP1 with Z-9-hexadecenal | ||||||
![]() | PBP1 | ||||||
![]() | 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 / (Z)-hexadec-9-enal / PBP1![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Zheng, J. / Chen, Z. | ||||||
Funding support | ![]()
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![]() | ![]() 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: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 68.9 KB | Display | ![]() |
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PDB format | ![]() | 48.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 592.7 KB | Display | ![]() |
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Full document | ![]() | 592.8 KB | Display | |
Data in XML | ![]() | 7.7 KB | Display | |
Data in CIF | ![]() | 9.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 7vw8C ![]() 7vw9SC 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: 16384.785 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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#2: Chemical | ChemComp-81K / ( |
#3: Water | ChemComp-HOH / |
Has ligand of interest | Y |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.86 Å3/Da / Density % sol: 33.7 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 7.5 / Details: peg |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
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: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.09→50 Å / Num. obs: 7259 / % possible obs: 98.2 % / Redundancy: 4.9 % / CC1/2: 0.991 / Rmerge(I) obs: 0.057 / Net I/σ(I): 31.1 |
Reflection shell | Resolution: 2.09→2.13 Å / Redundancy: 3.7 % / Rmerge(I) obs: 0.302 / Num. unique obs: 277 / CC1/2: 0.953 / % possible all: 81 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 7VW9 Resolution: 2.1→32.54 Å / Cor.coef. Fo:Fc: 0.949 / Cor.coef. Fo:Fc free: 0.932 / SU B: 14.286 / SU ML: 0.164 / Cross valid method: THROUGHOUT / ESU R Free: 0.207 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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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: 28.795 Å2
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Refinement step | Cycle: 1 / Resolution: 2.1→32.54 Å
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Refine LS restraints |
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