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- PDB-8a1a: Structure of a leucinostatin derivative determined by host lattic... -
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Open data
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Basic information
Entry | Database: PDB / ID: 8a1a | ||||||
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Title | Structure of a leucinostatin derivative determined by host lattice display : L1F11V1 construct | ||||||
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![]() | DE NOVO PROTEIN / Host lattice display / leucinostatin / EngBF / DARPin | ||||||
Function / homology | : ![]() | ||||||
Biological species | synthetic construct (others) | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Mittl, P.R.E. | ||||||
Funding support | 1items
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![]() | ![]() Title: Structure of a hydrophobic leucinostatin derivative determined by host lattice display. Authors: Kiss, C. / Gall, F.M. / Dreier, B. / Adams, M. / Riedl, R. / Pluckthun, A. / Mittl, P.R.E. | ||||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 322 KB | Display | ![]() |
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PDB format | ![]() | 246.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 472.3 KB | Display | ![]() |
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Full document | ![]() | 483.9 KB | Display | |
Data in XML | ![]() | 62.1 KB | Display | |
Data in CIF | ![]() | 97.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 8a19C ![]() 6qfkS C: citing same article ( S: Starting model for refinement |
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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 / Protein/peptide , 2 types, 2 molecules AB
#1: Protein | Mass: 147035.594 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Details: host lattice / Source: (gene. exp.) synthetic construct (others) / Production host: ![]() ![]() |
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#2: Protein/peptide | Mass: 1174.493 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) |
-Non-polymers , 5 types, 1551 molecules ![](data/chem/img/MN.gif)
![](data/chem/img/MPD.gif)
![](data/chem/img/MES.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/MPD.gif)
![](data/chem/img/MES.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/HOH.gif)
#3: Chemical | ChemComp-MN / #4: Chemical | ChemComp-MPD / ( #5: Chemical | ChemComp-MES / | #6: Chemical | ChemComp-CL / #7: Water | ChemComp-HOH / | |
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-Details
Has ligand of interest | N |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 4.38 Å3/Da |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion / pH: 6.43 Details: 3.64 % PEG20000, 24.82 % MPD 0.2M NaCl, 0.01M MnCl2, 0.1M MES, pH 6.43 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Oct 14, 2020 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.05→166 Å / Num. obs: 123411 / % possible obs: 96.2 % / Redundancy: 42.4 % / Biso Wilson estimate: 38.7 Å2 / CC1/2: 0.998 / Rmerge(I) obs: 0.29 / Rpim(I) all: 0.045 / Rrim(I) all: 0.294 / Net I/σ(I): 13.9 |
Reflection shell | Resolution: 2.05→2.24 Å / Redundancy: 40.6 % / Mean I/σ(I) obs: 1.7 / Num. unique obs: 6170 / CC1/2: 0.698 / Rpim(I) all: 0.51 / % possible all: 70.8 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 6QFK Resolution: 2.05→49.28 Å / Cor.coef. Fo:Fc: 0.963 / Cor.coef. Fo:Fc free: 0.951 / SU R Cruickshank DPI: 0.145 / Cross valid method: THROUGHOUT / SU R Blow DPI: 0.156 / SU Rfree Blow DPI: 0.134 / SU Rfree Cruickshank DPI: 0.129
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Displacement parameters | Biso mean: 49.81 Å2
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Refine analyze | Luzzati coordinate error obs: 0.22 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.05→49.28 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.05→2.17 Å
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