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Open data
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Basic information
| Entry | Database: EMDB / ID: EMD-23169 | |||||||||
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| Title | Dihedral ring D2_Wm-02 | |||||||||
Map data | ||||||||||
Sample |
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| Biological species | synthetic construct (others) | |||||||||
| Method | single particle reconstruction / negative staining / Resolution: 19.0 Å | |||||||||
Authors | Park YJ / Veesler D | |||||||||
| Funding support | United States, 1 items
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Citation | Journal: Nat Commun / Year: 2021Title: Design of multi-scale protein complexes by hierarchical building block fusion. Authors: Yang Hsia / Rubul Mout / William Sheffler / Natasha I Edman / Ivan Vulovic / Young-Jun Park / Rachel L Redler / Matthew J Bick / Asim K Bera / Alexis Courbet / Alex Kang / T J Brunette / Una ...Authors: Yang Hsia / Rubul Mout / William Sheffler / Natasha I Edman / Ivan Vulovic / Young-Jun Park / Rachel L Redler / Matthew J Bick / Asim K Bera / Alexis Courbet / Alex Kang / T J Brunette / Una Nattermann / Evelyn Tsai / Ayesha Saleem / Cameron M Chow / Damian Ekiert / Gira Bhabha / David Veesler / David Baker / ![]() Abstract: A systematic and robust approach to generating complex protein nanomaterials would have broad utility. We develop a hierarchical approach to designing multi-component protein assemblies from two ...A systematic and robust approach to generating complex protein nanomaterials would have broad utility. We develop a hierarchical approach to designing multi-component protein assemblies from two classes of modular building blocks: designed helical repeat proteins (DHRs) and helical bundle oligomers (HBs). We first rigidly fuse DHRs to HBs to generate a large library of oligomeric building blocks. We then generate assemblies with cyclic, dihedral, and point group symmetries from these building blocks using architecture guided rigid helical fusion with new software named WORMS. X-ray crystallography and cryo-electron microscopy characterization show that the hierarchical design approach can accurately generate a wide range of assemblies, including a 43 nm diameter icosahedral nanocage. The computational methods and building block sets described here provide a very general route to de novo designed protein nanomaterials. | |||||||||
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Structure visualization
| Movie |
Movie viewer |
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| Structure viewer | EM map: SurfView Molmil Jmol/JSmol |
| Supplemental images |
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Downloads & links
-EMDB archive
| Map data | emd_23169.map.gz | 1.8 MB | EMDB map data format | |
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| Header (meta data) | emd-23169-v30.xml emd-23169.xml | 17.5 KB 17.5 KB | Display Display | EMDB header |
| Images | emd_23169.png | 76.9 KB | ||
| Others | emd_23169_additional_1.map.gz emd_23169_half_map_1.map.gz emd_23169_half_map_2.map.gz | 993.6 KB 1.8 MB 1.8 MB | ||
| Archive directory | http://ftp.pdbj.org/pub/emdb/structures/EMD-23169 ftp://ftp.pdbj.org/pub/emdb/structures/EMD-23169 | HTTPS FTP |
-Validation report
| Summary document | emd_23169_validation.pdf.gz | 368.9 KB | Display | EMDB validaton report |
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| Full document | emd_23169_full_validation.pdf.gz | 368.5 KB | Display | |
| Data in XML | emd_23169_validation.xml.gz | 6.4 KB | Display | |
| Arichive directory | https://ftp.pdbj.org/pub/emdb/validation_reports/EMD-23169 ftp://ftp.pdbj.org/pub/emdb/validation_reports/EMD-23169 | HTTPS FTP |
-Related structure data
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Links
| EMDB pages | EMDB (EBI/PDBe) / EMDataResource |
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| Related items in Molecule of the Month |
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Map
| File | Download / File: emd_23169.map.gz / Format: CCP4 / Size: 2 MB / Type: IMAGE STORED AS FLOATING POINT NUMBER (4 BYTES) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Projections & slices | Image control
Images are generated by Spider. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Voxel size | X=Y=Z: 6.4 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Density |
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| Symmetry | Space group: 1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Details | EMDB XML:
CCP4 map header:
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-Supplemental data
-Additional map: #1
| File | emd_23169_additional_1.map | ||||||||||||
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-Half map: #1
| File | emd_23169_half_map_1.map | ||||||||||||
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| Density Histograms |
-Half map: #2
| File | emd_23169_half_map_2.map | ||||||||||||
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Sample components
-Entire : D2_Wm-02
| Entire | Name: D2_Wm-02 |
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| Components |
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-Supramolecule #1: D2_Wm-02
| Supramolecule | Name: D2_Wm-02 / type: complex / ID: 1 / Parent: 0 / Macromolecule list: all |
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| Source (natural) | Organism: synthetic construct (others) |
| Recombinant expression | Organism: ![]() |
-Macromolecule #1: D2_Wm-02A
| Macromolecule | Name: D2_Wm-02A / type: protein_or_peptide / ID: 1 / Enantiomer: LEVO |
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| Source (natural) | Organism: synthetic construct (others) |
| Sequence | String: MGTREEIIRE LARSLAEQAE LTARLERSLR EQERLQREGS SDEDVRELIR EQKELVREIL KLIA EQILL IAELLLASTR SEAAELALRA IRNAIEACKN ADNEEMCRQL MRMAQNALEL ATQAPDAEA AKAALRAIDL AVELASRHPG SQAADDALKL AQQAAEAVKL ...String: MGTREEIIRE LARSLAEQAE LTARLERSLR EQERLQREGS SDEDVRELIR EQKELVREIL KLIA EQILL IAELLLASTR SEAAELALRA IRNAIEACKN ADNEEMCRQL MRMAQNALEL ATQAPDAEA AKAALRAIDL AVELASRHPG SQAADDALKL AQQAAEAVKL ALDLYREHPN ADIADLCRKA AKEA AEAAS KAAELAQRHP DSQAARDAIK LASQAAEAVK LACELAQEHP NAEIAKMCIL AASAAALMA SIAAILAQRH PDSQIARDLI RLASELAEMV KRMCERGGSW GLEHHHHHH |
-Macromolecule #2: D2_Wm-02B
| Macromolecule | Name: D2_Wm-02B / type: protein_or_peptide / ID: 2 / Enantiomer: LEVO |
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| Source (natural) | Organism: synthetic construct (others) |
| Sequence | String: MGTREELAKE LLRSLREQAE SLARQLRLLK ELERLQREGS SDEDVRELLR EIKELAAEQI KLIM EQLLL IAELMLGRSE AAELALEAIR LALELCRQST DQEQCTDLLR QATEALETAT RYPDDTNAK AKLMAITARL LAQQLRTQHP DSQAARDAEK LADQAEKAVR ...String: MGTREELAKE LLRSLREQAE SLARQLRLLK ELERLQREGS SDEDVRELLR EIKELAAEQI KLIM EQLLL IAELMLGRSE AAELALEAIR LALELCRQST DQEQCTDLLR QATEALETAT RYPDDTNAK AKLMAITARL LAQQLRTQHP DSQAARDAEK LADQAEKAVR LAKRLYEEHP NADKSELCSQ LAYA AALLA SIAAMLAQRH PDSQEARDMI RIASELAELV KEICER |
-Experimental details
-Structure determination
| Method | negative staining |
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Processing | single particle reconstruction |
| Aggregation state | particle |
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Sample preparation
| Buffer | pH: 8 |
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| Staining | Type: NEGATIVE / Material: UF |
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Electron microscopy
| Microscope | FEI TECNAI 12 |
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| Image recording | Film or detector model: GATAN ULTRASCAN 4000 (4k x 4k) / Average electron dose: 50.0 e/Å2 |
| Electron beam | Acceleration voltage: 120 kV / Electron source: LAB6 |
| Electron optics | Illumination mode: FLOOD BEAM / Imaging mode: BRIGHT FIELD |
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Image processing
| Startup model | Type of model: OTHER / Details: cryoSPARC ab initio |
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| Final reconstruction | Resolution.type: BY AUTHOR / Resolution: 19.0 Å / Resolution method: FSC 0.143 CUT-OFF / Software - Name: cryoSPARC / Number images used: 21778 |
| Initial angle assignment | Type: PROJECTION MATCHING |
| Final angle assignment | Type: PROJECTION MATCHING |
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