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- PDB-7twl: Structure of a borosin methyltransferase from Mycena rosella with... -
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Open data
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Basic information
Entry | Database: PDB / ID: 7twl | ||||||
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Title | Structure of a borosin methyltransferase from Mycena rosella with peptide A2 (MroMA2) in complex with SAH | ||||||
![]() | MroMA2 | ||||||
![]() | TRANSFERASE / RIPPs / methyltransferase / borosin / MroMA | ||||||
Function / homology | S-ADENOSYL-L-HOMOCYSTEINE![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Zheng, Y. / Ongpipattanakul, C. / Nair, S.K. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Bioconjugate Platform for Iterative Backbone N -Methylation of Peptides. Authors: Zheng, Y. / Ongpipattanakul, C. / Nair, S.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 | ![]() | 324.5 KB | Display | ![]() |
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PDB format | ![]() | 260 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.8 MB | Display | ![]() |
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Full document | ![]() | 1.9 MB | Display | |
Data in XML | ![]() | 63 KB | Display | |
Data in CIF | ![]() | 89.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 7twkSC ![]() 7twmC S: Starting model for refinement 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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1 | ![]()
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2 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 43869.113 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #2: Chemical | ChemComp-SAH / #3: Water | ChemComp-HOH / | Has ligand of interest | N | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.51 Å3/Da / Density % sol: 50.94 % |
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Crystal grow | Temperature: 282 K / Method: vapor diffusion, hanging drop / pH: 6.5 / Details: 20% PEG 8000, 3% MPD and 100 mM imidazole |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: RAYONIX MX-300 / Detector: CCD / Date: Jun 25, 2021 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97856 Å / Relative weight: 1 |
Reflection | Resolution: 1.86→59.8 Å / Num. obs: 148570 / % possible obs: 100 % / Redundancy: 14.7 % / CC1/2: 0.999 / Rmerge(I) obs: 0.103 / Net I/σ(I): 16 |
Reflection shell | Resolution: 1.86→1.9 Å / Num. unique obs: 7320 / Rsym value: 0.114 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 7TWK Resolution: 1.86→25 Å / Cor.coef. Fo:Fc: 0.963 / Cor.coef. Fo:Fc free: 0.947 / SU B: 3.124 / SU ML: 0.093 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.136 / ESU R Free: 0.128 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT U VALUES : REFINED INDIVIDUALLY
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: BABINET MODEL WITH MASK | |||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 123.6 Å2 / Biso mean: 34.147 Å2 / Biso min: 16.26 Å2
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Refinement step | Cycle: final / Resolution: 1.86→25 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.86→1.908 Å / Rfactor Rfree error: 0 / Total num. of bins used: 20
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