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- PDB-4ltv: Crystal structure of epi-isozizaene synthase from Streptomyces co... -
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Open data
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Basic information
Entry | Database: PDB / ID: 4ltv | ||||||
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Title | Crystal structure of epi-isozizaene synthase from Streptomyces coelicolor A3(2) | ||||||
![]() | Epi-isozizaene synthase | ||||||
![]() | LYASE / Class I terpene cyclase | ||||||
Function / homology | ![]() epi-isozizaene synthase / epi-isozizaene synthase activity / terpene synthase activity / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Li, R. / Chou, W. / Himmelberger, J.A. / Litwin, K. / Harris, G. / Cane, D.E. / Christianson, D.W. | ||||||
![]() | ![]() Title: Reprogramming the Chemodiversity of Terpenoid Cyclization by Remolding the Active Site Contour of epi-Isozizaene Synthase. Authors: Li, R. / Chou, W.K. / Himmelberger, J.A. / Litwin, K.M. / Harris, G.G. / Cane, D.E. / Christianson, D.W. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 79.9 KB | Display | ![]() |
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PDB format | ![]() | 58.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 442.1 KB | Display | ![]() |
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Full document | ![]() | 448.8 KB | Display | |
Data in XML | ![]() | 14.3 KB | Display | |
Data in CIF | ![]() | 18.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4ltzC ![]() 4luuC ![]() 4lxwC ![]() 4lz0C ![]() 4lz3C ![]() 4lzcC ![]() 3kb9S 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: 43716.012 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() | ||
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#2: Chemical | #3: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.11 Å3/Da / Density % sol: 41.76 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 5.5 Details: 4 uL drop of protein solution [8-10 mg/mL EIZS, 20 mM Tris-HCl (pH 7.5), 300 mM NaCl, 10 mM MgCl2, 10% glycerol, 2 mM TCEP, 2 mM sodium pyrophosphate, and 2 mM benzyltriethylammonium ...Details: 4 uL drop of protein solution [8-10 mg/mL EIZS, 20 mM Tris-HCl (pH 7.5), 300 mM NaCl, 10 mM MgCl2, 10% glycerol, 2 mM TCEP, 2 mM sodium pyrophosphate, and 2 mM benzyltriethylammonium chloride] was added to 4 uL of precipitant solution [100 mM Bis-Tris (pH 5.5), 25-28%polyethylene glycol 3350, and 0.2M(NH4)2SO4] and equilibrated against a 1 mL well reservoir of precipitant solution. Crystals appeared within 2-3 days. Then the crystals were soaked in a chelation buffer [5 mM 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid, 15 mM ethylenediaminetetraacetic acid, 100 mM Bis-Tris (pH 5.5), 30% polyethylene glycol 3350, 200 mM (NH4)2SO4, 15% glycerol] for 7 days. , VAPOR DIFFUSION, SITTING DROP, temperature 298K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Jan 31, 2012 Details: Monochromator: Double silicon (111) crystal monochromator with cryogenically-cooled first crystal and sagittally-bent second crystal horizontally-focusing at 3.3:1 demagnification. Mirror: ...Details: Monochromator: Double silicon (111) crystal monochromator with cryogenically-cooled first crystal and sagittally-bent second crystal horizontally-focusing at 3.3:1 demagnification. Mirror: Meridionally-bent fused silica mirror with palladium and uncoated stripes vertically-focusing at 6.6:1 demagnification. |
Radiation | Monochromator: Double silicon (111) crystal monochromator with cryogenically-cooled first crystal and sagittally-bent second crystal horizontally-focusing at 3.3:1 demagnification. Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.075 Å / Relative weight: 1 |
Reflection | Resolution: 2.4→50 Å / Num. obs: 13825 / % possible obs: 95.8 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / Redundancy: 3.1 % / Rmerge(I) obs: 0.091 / Rsym value: 0.091 / Net I/σ(I): 11.912 |
Reflection shell | Resolution: 2.4→2.49 Å / Redundancy: 2.9 % / Rmerge(I) obs: 0.335 / Mean I/σ(I) obs: 2.423 / Rsym value: 0.335 / % possible all: 94.5 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDBID: 3KB9 Resolution: 2.403→41.068 Å / SU ML: 0.32 / σ(F): 0.07 / Phase error: 26.5 / 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 / Bsol: 61.233 Å2 / ksol: 0.355 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters |
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Refinement step | Cycle: LAST / Resolution: 2.403→41.068 Å
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Refine LS restraints |
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LS refinement shell |
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