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Open data
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Basic information
Entry | Database: PDB / ID: 9mlo | ||||||
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Title | Drimenol Synthase - Farnesyl Thiol Complex | ||||||
![]() | Haloacid dehalogenase superfamily, subfamily IA, variant 3 with third motif having DD or ED | ||||||
![]() | LYASE / terpene synthase / phosphatase / isoprenoid | ||||||
Function / homology | Haloacid dehalogenase-like hydrolase / Haloacid dehalogenase-like hydrolase / Phosphoglycolate phosphatase-like, domain 2 / HAD hydrolase, subfamily IA / HAD superfamily / HAD-like superfamily / : / PHOSPHATE ION / Haloacid dehalogenase superfamily, subfamily IA, variant 3 with third motif having DD or ED![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Osika, K.R. / Gaynes, M.N. / Christianson, D.W. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Crystal structure and catalytic mechanism of drimenol synthase, an unusual bifunctional terpene cyclase-phosphatase. Authors: Osika, K.R. / Gaynes, M.N. / 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 | ![]() | 205.3 KB | Display | ![]() |
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PDB format | ![]() | Display | ![]() | |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.6 MB | Display | ![]() |
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Full document | ![]() | 1.6 MB | Display | |
Data in XML | ![]() | 41.6 KB | Display | |
Data in CIF | ![]() | 53.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 9mhsC C: citing same article ( |
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Similar structure data | Similarity search - Function & homology ![]() |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
-Protein , 1 types, 2 molecules BA
#1: Protein | Mass: 60892.676 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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-Non-polymers , 5 types, 102 molecules 






#2: Chemical | #3: Chemical | Mass: 238.432 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C15H26S / Feature type: SUBJECT OF INVESTIGATION #4: Chemical | #5: Chemical | ChemComp-TRS / | #6: Water | ChemComp-HOH / | |
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-Details
Has ligand of interest | Y |
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Has protein modification | N |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.27 Å3/Da / Density % sol: 62.36 % |
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Crystal grow | Temperature: 294 K / Method: vapor diffusion, sitting drop Details: 13 mg/mL AsDMS, Tris-HCl, NaCl, TCEP, glycerol, farnesyl S-thiolodiphosphate (FSPP), Magnesium chloride hexahydrate, Sodium citrate tribasic dihydrate, Jeffamine ED-2001 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS EIGER X 9M / Detector: PIXEL / Date: Oct 18, 2024 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.92 Å / Relative weight: 1 |
Reflection | Resolution: 2.64→34.6 Å / Num. obs: 47665 / % possible obs: 99.87 % / Redundancy: 17 % / CC1/2: 0.993 / Rmerge(I) obs: 0.406 / Rpim(I) all: 0.101 / Rrim(I) all: 0.419 / Net I/σ(I): 7 |
Reflection shell | Resolution: 2.643→2.689 Å / Rmerge(I) obs: 3.92 / Mean I/σ(I) obs: 0.9 / Num. unique obs: 2337 / CC1/2: 0.339 / Rpim(I) all: 0.928 / Rrim(I) all: 3.92 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]()
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.64→34.6 Å
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Refine LS restraints |
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LS refinement shell |
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