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- PDB-2fj0: Crystal Structure of Juvenile Hormone Esterase from Manduca sexta... -
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Open data
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Basic information
Entry | Database: PDB / ID: 2fj0 | ||||||
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Title | Crystal Structure of Juvenile Hormone Esterase from Manduca sexta, with OTFP covalently attached | ||||||
![]() | Carboxylic ester hydrolase | ||||||
![]() | HYDROLASE / Esterase / juvenile Hormone / Manduca sexta / alpha-beta hydrolase | ||||||
Function / homology | ![]() Hydrolases; Acting on ester bonds; Carboxylic-ester hydrolases / carboxylic ester hydrolase activity Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Wogulis, M. / Wilson, D.K. | ||||||
![]() | ![]() Title: Structural studies of a potent insect maturation inhibitor bound to the juvenile hormone esterase of Manduca sexta. Authors: Wogulis, M. / Wheelock, C.E. / Kamita, S.G. / Hinton, A.C. / Whetstone, P.A. / Hammock, B.D. / Wilson, D.K. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 114.6 KB | Display | ![]() |
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PDB format | ![]() | 93.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 604 KB | Display | ![]() |
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Full document | ![]() | 623 KB | Display | |
Data in XML | ![]() | 23.8 KB | Display | |
Data in CIF | ![]() | 32.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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: 62155.242 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() References: UniProt: Q9GPG0, Hydrolases; Acting on ester bonds; Carboxylic-ester hydrolases |
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#2: Chemical | ChemComp-TFC / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.12 Å3/Da / Density % sol: 60.53 % |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion, hanging drop / pH: 5.5 Details: 14% PEG 3000, 80 mM sodium citrate, 20 mM citric acid, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM / Detector: CCD / Date: May 9, 2004 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.95 Å / Relative weight: 1 |
Reflection | Resolution: 2.7→100 Å / Num. all: 22256 / Num. obs: 21455 / % possible obs: 96.4 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 1 / Redundancy: 3 % / Biso Wilson estimate: 44.1 Å2 / Rmerge(I) obs: 0.081 / Net I/σ(I): 9.3 |
Reflection shell | Resolution: 2.7→2.8 Å / Redundancy: 3.1 % / Rmerge(I) obs: 0.418 / Mean I/σ(I) obs: 2.3 / % possible all: 97.4 |
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Processing
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Refinement | Method to determine structure: ![]()
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 27.0217 Å2 / ksol: 0.32253 e/Å3 | ||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 42.3 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.7→29.9 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.7→2.87 Å / Rfactor Rfree error: 0.028 / Total num. of bins used: 6
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Xplor file |
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