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Open data
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Basic information
Entry | Database: PDB / ID: 3b6x | ||||||
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Title | Complex of S52A Substituted Drosophila LUSH protein with Butanol | ||||||
![]() | General odorant-binding protein lush | ||||||
![]() | TRANSPORT PROTEIN / Odorant Binding / Alcohol Binding / Behavior / Olfaction / Pheromone response / Pheromone-binding / Secreted / Sensory transduction / Transport | ||||||
Function / homology | ![]() diphenyl phthalate binding / response to pheromone / courtship behavior / dibutyl phthalate binding / pheromone binding / olfactory behavior / odorant binding / sensory perception of smell / response to ethanol / extracellular region Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Thode, A.B. / Jones, D.N.M. | ||||||
![]() | ![]() Title: The role of multiple hydrogen-bonding groups in specific alcohol binding sites in proteins: insights from structural studies of LUSH. Authors: Thode, A.B. / Kruse, S.W. / Nix, J.C. / Jones, D.N. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 70.6 KB | Display | ![]() |
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PDB format | ![]() | 51.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 1t14C ![]() 3b7aC ![]() 3b86C ![]() 3b87C ![]() 3b88C ![]() 1oohS 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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2 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 14337.656 Da / Num. of mol.: 2 / Fragment: Chain A / Mutation: Serine 52 to Alanine Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() #2: Chemical | ChemComp-ACT / #3: Chemical | #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.13 Å3/Da / Density % sol: 42.32 % |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion, hanging drop / pH: 4.6 Details: 25% PEG 400, 100mM Sodium Acetate, 3:1 protein/well ratio, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature Room tempK, temperature 295K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU RAXIS IV / Detector: IMAGE PLATE / Date: Aug 15, 2003 |
Radiation | Monochromator: Mirrors / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2→30 Å / Num. all: 15934 / Num. obs: 15795 / % possible obs: 98 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 / Redundancy: 7.02 % / Biso Wilson estimate: 21.7 Å2 / Rmerge(I) obs: 0.05 / Χ2: 1.329 / Net I/σ(I): 8.2 |
Reflection shell | Resolution: 2→2.05 Å / Redundancy: 7.1 % / Rmerge(I) obs: 0.194 / Mean I/σ(I) obs: 2.3 / Num. unique all: 1088 / Rsym value: 0.214 / Χ2: 1.436 / % possible all: 99.6 |
-Phasing
Phasing | Method: ![]() |
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Phasing MR | Method rotation: fast direct / Method translation: &STRIP%trans_method |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 1OOH Resolution: 2→29.11 Å / Cor.coef. Fo:Fc: 0.956 / Cor.coef. Fo:Fc free: 0.92 / SU B: 3.885 / SU ML: 0.113 / Isotropic thermal model: Isotropic / Cross valid method: THROUGHOUT / σ(F): 2 / σ(I): 2 / ESU R: 0.238 / ESU R Free: 0.19 / 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: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 21.746 Å2
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Refine analyze | Luzzati coordinate error obs: 0.193 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2→29.11 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2→2.051 Å / Total num. of bins used: 20
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