+Open data
-Basic information
Entry | Database: PDB / ID: 5feu | ||||||
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Title | Noroxomaritidine/Norcraugsodine Reductase in complex with NADP+ | ||||||
Components | Noroxomaritidine/Norcraugsodine Reductase | ||||||
Keywords | OXIDOREDUCTASE / short-chain dehydrogenase/reductase alkaloid biosynthesis | ||||||
Function / homology | Function and homology information alkaloid metabolic process / Oxidoreductases; Acting on the CH-OH group of donors; With NAD+ or NADP+ as acceptor / oxidoreductase activity / nucleotide binding Similarity search - Function | ||||||
Biological species | Narcissus pseudonarcissus (daffodil) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 1.73 Å | ||||||
Authors | Holland, C. / Jez, J.M. | ||||||
Funding support | United States, 1items
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Citation | Journal: J.Biol.Chem. / Year: 2016 Title: Identification of a Noroxomaritidine Reductase with Amaryllidaceae Alkaloid Biosynthesis Related Activities. Authors: Kilgore, M.B. / Holland, C.K. / Jez, J.M. / Kutchan, T.M. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5feu.cif.gz | 114.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5feu.ent.gz | 86.8 KB | Display | PDB format |
PDBx/mmJSON format | 5feu.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/fe/5feu ftp://data.pdbj.org/pub/pdb/validation_reports/fe/5feu | HTTPS FTP |
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-Related structure data
Related structure data | 5ff9C 5fffC 2ae2S C: citing same article (ref.) S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Components on special symmetry positions |
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-Components
#1: Protein | Mass: 31187.244 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Narcissus pseudonarcissus (daffodil) / Production host: Escherichia coli (E. coli) / References: UniProt: A0A1A9TAK5*PLUS |
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#2: Chemical | ChemComp-NAP / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 1.99 Å3/Da / Density % sol: 38.16 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 7.5 / Details: 20% PEG-8000 100 mM HEPES buffer (pH 7.5). |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 19-ID / Wavelength: 0.98 Å |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Apr 5, 2015 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.98 Å / Relative weight: 1 |
Reflection | Resolution: 1.73→45.2 Å / Num. obs: 27021 / % possible obs: 99.7 % / Redundancy: 13.6 % / Rsym value: 0.106 / Net I/σ(I): 22 |
Reflection shell | Resolution: 1.73→1.79 Å / Redundancy: 9.4 % / Rmerge(I) obs: 0.521 / Mean I/σ(I) obs: 2.4 / % possible all: 98.6 |
-Phasing
Phasing | Method: molecular replacement |
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-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 2AE2 Resolution: 1.73→45.169 Å / SU ML: 0.17 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 22.81 / Stereochemistry target values: MLHL
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.73→45.169 Å
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Refine LS restraints |
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LS refinement shell |
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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