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- PDB-7tme: Porous framework formed by assembly of a bipyridyl-conjugated hel... -
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Open data
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Basic information
Entry | Database: PDB / ID: 7tme | ||||||
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Title | Porous framework formed by assembly of a bipyridyl-conjugated helical peptide | ||||||
![]() | helical peptide | ||||||
![]() | DE NOVO PROTEIN / porous / framework / helix / 310 / alpha / assembly / bipyridine / UIC-1 | ||||||
Function / homology | ACETONITRILE / ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate / Chem-I77![]() | ||||||
Biological species | synthetic construct (others) | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Nguyen, A.I. | ||||||
Funding support | 1items
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![]() | ![]() Title: Assembly of pi-Stacking Helical Peptides into a Porous and Multivariable Proteomimetic Framework. Authors: Heinz-Kunert, S.L. / Pandya, A. / Dang, V.T. / Tran, P.N. / Ghosh, S. / McElheny, D. / Santarsiero, B.D. / Ren, Z. / Nguyen, A.I. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 26.1 KB | Display | ![]() |
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PDB format | ![]() | 15.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 7tlsSC ![]() 7tluC ![]() 7tm1C ![]() 7tm2C ![]() 7tmaC ![]() 7tmhC ![]() 7tmiC ![]() 7tmjC ![]() 7tmkC ![]() 7tmlC 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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Unit cell |
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Components
#1: Protein/peptide | Mass: 927.097 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) | ||||
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#2: Chemical | ChemComp-I77 / | ||||
#3: Chemical | ChemComp-I6W / | ||||
#4: Chemical | #5: Water | ChemComp-HOH / | Has ligand of interest | N | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.72 Å3/Da / Density % sol: 54.83 % |
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Crystal grow | Temperature: 295 K / Method: slow cooling / Details: acetonitrile and water |
-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: Jul 1, 2021 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.688 Å / Relative weight: 1 |
Reflection | Resolution: 0.8→12.14 Å / Num. obs: 20050 / % possible obs: 98.1 % / Redundancy: 6.3 % / Biso Wilson estimate: 4.63 Å2 / CC1/2: 0.992 / Net I/σ(I): 33.55 |
Reflection shell | Resolution: 0.8→0.8286 Å / Mean I/σ(I) obs: 9.96 / Num. unique obs: 1002 / Rrim(I) all: 0.03592 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 7TLS Resolution: 0.8→12.14 Å / SU ML: 0.0314 / Cross valid method: FREE R-VALUE / σ(F): 1.44 / Phase error: 12.0371 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 8.29 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 0.8→12.14 Å
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Refine LS restraints |
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LS refinement shell |
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