+Open data
-Basic information
Entry | Database: EMDB / ID: EMD-23168 | |||||||||
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Title | Dihedral ring D2_Wm-01 | |||||||||
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: 2021 Title: 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. | |||||||||
History |
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-Structure visualization
Movie |
Movie viewer |
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Structure viewer | EM map: SurfViewMolmilJmol/JSmol |
Supplemental images |
-Downloads & links
-EMDB archive
Map data | emd_23168.map.gz | 1.8 MB | EMDB map data format | |
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Header (meta data) | emd-23168-v30.xml emd-23168.xml | 18.1 KB 18.1 KB | Display Display | EMDB header |
Images | emd_23168.png | 90.3 KB | ||
Others | emd_23168_additional_1.map.gz emd_23168_half_map_1.map.gz emd_23168_half_map_2.map.gz | 998.5 KB 1.8 MB 1.8 MB | ||
Archive directory | http://ftp.pdbj.org/pub/emdb/structures/EMD-23168 ftp://ftp.pdbj.org/pub/emdb/structures/EMD-23168 | HTTPS FTP |
-Validation report
Summary document | emd_23168_validation.pdf.gz | 366.8 KB | Display | EMDB validaton report |
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Full document | emd_23168_full_validation.pdf.gz | 366.4 KB | Display | |
Data in XML | emd_23168_validation.xml.gz | 6.5 KB | Display | |
Arichive directory | https://ftp.pdbj.org/pub/emdb/validation_reports/EMD-23168 ftp://ftp.pdbj.org/pub/emdb/validation_reports/EMD-23168 | HTTPS FTP |
-Related structure data
-Links
EMDB pages | EMDB (EBI/PDBe) / EMDataResource |
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Related items in Molecule of the Month |
-Map
File | Download / File: emd_23168.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_23168_additional_1.map | ||||||||||||
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Projections & Slices |
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Density Histograms |
-Half map: #2
File | emd_23168_half_map_1.map | ||||||||||||
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Projections & Slices |
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Density Histograms |
-Half map: #1
File | emd_23168_half_map_2.map | ||||||||||||
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Projections & Slices |
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Density Histograms |
-Sample components
-Entire : D2_Wm-01
Entire | Name: D2_Wm-01 |
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Components |
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-Supramolecule #1: D2_Wm-01
Supramolecule | Name: D2_Wm-01 / type: complex / ID: 1 / Parent: 0 / Macromolecule list: all |
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Source (natural) | Organism: synthetic construct (others) |
Recombinant expression | Organism: Escherichia coli K-12 (bacteria) |
-Macromolecule #1: D2_Wm-01A
Macromolecule | Name: D2_Wm-01A / type: protein_or_peptide / ID: 1 / Enantiomer: LEVO |
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Source (natural) | Organism: synthetic construct (others) |
Recombinant expression | Organism: Escherichia coli K-12 (bacteria) |
Sequence | String: MGTREESLKE QLRSLREQAE LAARLLRLLK ELERLQREGS SDEDVRELLR EIKELVAEII KLIM EQLLL IAEQLLGRSE AAELALRAIR LALELCRQST DLEECLRLLK TAIKALENAL RHPDSTTAK ARLMAITARL LAQQLRTQHP DSQAARDAEK LADQAERAVR ...String: MGTREESLKE QLRSLREQAE LAARLLRLLK ELERLQREGS SDEDVRELLR EIKELVAEII KLIM EQLLL IAEQLLGRSE AAELALRAIR LALELCRQST DLEECLRLLK TAIKALENAL RHPDSTTAK ARLMAITARL LAQQLRTQHP DSQAARDAEK LADQAERAVR LATRLYEEHP NAEISEMCSQ AAYA AALMA SIAAILAQRH PDSQIARDLI RLASELAEMV KRMCERGGSW GLEHHHHHH |
-Macromolecule #2: D2_Wm-01B
Macromolecule | Name: D2_Wm-01B / type: protein_or_peptide / ID: 2 / Enantiomer: LEVO |
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Source (natural) | Organism: synthetic construct (others) |
Recombinant expression | Organism: Escherichia coli K-12 (bacteria) |
Sequence | String: MGTREELAKE LLRSLREQAE SLARQLRLLK ELERLQREGS SDEDVRELLR EIKELAAEQI KLIM EQLLL IAELTLGRSE AAELALDAIR QALEACRTMD NQEACTRLLK LAIQMLELAT RAPDAEAAK LALEAAKKAI ELANRHPGSQ AAEDATKLAQ QAMEAVRLAL ...String: MGTREELAKE LLRSLREQAE SLARQLRLLK ELERLQREGS SDEDVRELLR EIKELAAEQI KLIM EQLLL IAELTLGRSE AAELALDAIR QALEACRTMD NQEACTRLLK LAIQMLELAT RAPDAEAAK LALEAAKKAI ELANRHPGSQ AAEDATKLAQ QAMEAVRLAL KLYEEHPNAD IADLCRRAAA EAAE AASKA AELAQRHPDS QAARDAIKLA SQAAEAVKLA CELAQEHPNA DKAKLCILLA SAAALLASI AAMLAQRHPD SQEARDMIRI ASELAELVKE ICER |
-Experimental details
-Structure determination
Method | negative staining |
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Processing | single particle reconstruction |
Aggregation state | particle |
-Sample preparation
Buffer | pH: 8 |
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Staining | Type: NEGATIVE / Material: UF |
Grid | Pretreatment - Type: GLOW DISCHARGE / Details: unspecified |
-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 |
-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: 16671 |
Initial angle assignment | Type: PROJECTION MATCHING |
Final angle assignment | Type: PROJECTION MATCHING |