+Open data
-Basic information
Entry | Database: PDB / ID: 6i6l | ||||||
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Title | Papaver somniferum O-methyltransferase 1 | ||||||
Components | O-methyltransferase 1 | ||||||
Keywords | TRANSFERASE / SAM-dependent O-methyltransferase / Papaver somniferum / tetrahydrocolumbamine / s-adenosyl homocysteine / noscapine / benzylisoquinoline alkaloid | ||||||
Function / homology | Function and homology information tetrahydrocolumbamine 2-O-methyltransferase / benzyl isoquinoline alkaloid biosynthetic process / tetrahydrocolumbamine 2-O-methyltransferase activity / (S)-scoulerine 9-O-methyltransferase / (S)-scoulerine 9-O-methyltransferase activity / : / O-methyltransferase activity / Transferases; Transferring one-carbon groups; Methyltransferases / methyltransferase activity / methylation / protein dimerization activity Similarity search - Function | ||||||
Biological species | Papaver somniferum (opium poppy) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.29 Å | ||||||
Authors | Cabry, M.P. / Offen, W.A. / Winzer, T. / Li, Y. / Graham, I.A. / Davies, G.J. / Saleh, P. | ||||||
Funding support | United Kingdom, 1items
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Citation | Journal: Acs Catalysis / Year: 2019 Title: Structure of Papaver somniferum O-Methyltransferase 1 Reveals Initiation of Noscapine Biosynthesis with Implications for Plant Natural Product Methylation Authors: Cabry, M.P. / Offen, W.A. / Winzer, T.H. / Li, Y. / Graham, I.A. / Davies, G.J. / Saleh, P. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6i6l.cif.gz | 317.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6i6l.ent.gz | 254.3 KB | Display | PDB format |
PDBx/mmJSON format | 6i6l.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/i6/6i6l ftp://data.pdbj.org/pub/pdb/validation_reports/i6/6i6l | HTTPS FTP |
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-Related structure data
Related structure data | 6i5qSC 6i5zC 6i6kC 6i6mC 6i6nC S: Starting model for refinement C: citing same article (ref.) |
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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
#1: Protein | Mass: 42772.035 Da / Num. of mol.: 2 / Mutation: K114A,K115A Source method: isolated from a genetically manipulated source Details: sequence after 3C protease cleavage of tag / Source: (gene. exp.) Papaver somniferum (opium poppy) / Gene: MT1 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: I3PLQ5, UniProt: I3V6A7*PLUS #2: Chemical | #3: Chemical | #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.28 Å3/Da / Density % sol: 46.1 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, sitting drop / Details: PEG 3350, diammonium citrate / PH range: 4.4-5.0 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.9763 Å |
Detector | Type: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Dec 3, 2015 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9763 Å / Relative weight: 1 |
Reflection | Resolution: 1.29→75.94 Å / Num. obs: 184110 / % possible obs: 95.5 % / Redundancy: 3.6 % / CC1/2: 0.997 / Rmerge(I) obs: 0.052 / Rpim(I) all: 0.037 / Net I/σ(I): 9.5 |
Reflection shell | Resolution: 1.29→1.31 Å / Redundancy: 3.6 % / Rmerge(I) obs: 0.813 / Mean I/σ(I) obs: 1.7 / Num. unique obs: 8747 / CC1/2: 0.511 / Rpim(I) all: 0.604 / % possible all: 92.3 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 6I5Q Resolution: 1.29→75.11 Å / Cor.coef. Fo:Fc: 0.982 / Cor.coef. Fo:Fc free: 0.971 / SU B: 1.529 / SU ML: 0.028 / Cross valid method: THROUGHOUT / ESU R: 0.038 / ESU R Free: 0.04 / 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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 17.311 Å2
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Refinement step | Cycle: 1 / Resolution: 1.29→75.11 Å
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Refine LS restraints |
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