+Open data
-Basic information
Entry | Database: PDB / ID: 7stl | ||||||
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Title | Chitin Synthase 2 from Candida albicans at the apo state | ||||||
Components | Chitin synthase | ||||||
Keywords | MEMBRANE PROTEIN / chitin synthesis / glycosyltransferase | ||||||
Function / homology | Function and homology information : / chitin synthase / chitin synthase activity / cell septum / cell periphery / membrane Similarity search - Function | ||||||
Biological species | Candida albicans (yeast) | ||||||
Method | ELECTRON MICROSCOPY / single particle reconstruction / cryo EM / Resolution: 2.95 Å | ||||||
Authors | Ren, Z. / Chhetri, A. / Lee, S. / Yokoyama, K. | ||||||
Funding support | 1items
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Citation | Journal: Nat Struct Mol Biol / Year: 2022 Title: Structural basis for inhibition and regulation of a chitin synthase from Candida albicans. Authors: Zhenning Ren / Abhishek Chhetri / Ziqiang Guan / Yang Suo / Kenichi Yokoyama / Seok-Yong Lee / Abstract: Chitin is an essential component of the fungal cell wall. Chitin synthases (Chss) catalyze chitin formation and translocation across the membrane and are targets of antifungal agents, including ...Chitin is an essential component of the fungal cell wall. Chitin synthases (Chss) catalyze chitin formation and translocation across the membrane and are targets of antifungal agents, including nikkomycin Z and polyoxin D. Lack of structural insights into the action of these inhibitors on Chs has hampered their further development to the clinic. We present the cryo-EM structures of Chs2 from Candida albicans (CaChs2) in the apo, substrate-bound, nikkomycin Z-bound, and polyoxin D-bound states. CaChs2 adopts a unique domain-swapped dimer configuration where a conserved motif in the domain-swapped region controls enzyme activity. CaChs2 has a dual regulation mechanism where the chitin translocation tunnel is closed by the extracellular gate and plugged by a lipid molecule in the apo state to prevent non-specific leak. Analyses of substrate and inhibitor binding provide insights into the chemical logic of Chs inhibition, which can guide Chs-targeted antifungal development. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 7stl.cif.gz | 549.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb7stl.ent.gz | 453.6 KB | Display | PDB format |
PDBx/mmJSON format | 7stl.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 7stl_validation.pdf.gz | 1.1 MB | Display | wwPDB validaton report |
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Full document | 7stl_full_validation.pdf.gz | 1.1 MB | Display | |
Data in XML | 7stl_validation.xml.gz | 43.2 KB | Display | |
Data in CIF | 7stl_validation.cif.gz | 65.2 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/st/7stl ftp://data.pdbj.org/pub/pdb/validation_reports/st/7stl | HTTPS FTP |
-Related structure data
Related structure data | 25432MC 7stmC 7stnC 7stoC M: map data used to model this data C: citing same article (ref.) |
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Similar structure data | Similarity search - Function & homologyF&H Search |
-Links
-Assembly
Deposited unit |
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1 |
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-Components
#1: Protein | Mass: 119298.227 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Candida albicans (yeast) / Gene: CHS2, CAALFM_CR09020CA, orf19.7298 / Production host: Spodoptera frugiperda (fall armyworm) / References: UniProt: A0A1D8PTV3, chitin synthase #2: Chemical | ChemComp-3PE / Has ligand of interest | Y | |
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-Experimental details
-Experiment
Experiment | Method: ELECTRON MICROSCOPY |
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EM experiment | Aggregation state: PARTICLE / 3D reconstruction method: single particle reconstruction |
-Sample preparation
Component | Name: Chitin synthase 2 from Candida albicans in the apo state Type: COMPLEX / Entity ID: #1 / Source: RECOMBINANT |
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Source (natural) | Organism: Candida albicans (yeast) |
Source (recombinant) | Organism: Spodoptera frugiperda (fall armyworm) |
Buffer solution | pH: 7.5 |
Specimen | Embedding applied: NO / Shadowing applied: NO / Staining applied: NO / Vitrification applied: YES |
Vitrification | Cryogen name: ETHANE |
-Electron microscopy imaging
Experimental equipment | Model: Titan Krios / Image courtesy: FEI Company |
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Microscopy | Model: FEI TITAN KRIOS |
Electron gun | Electron source: FIELD EMISSION GUN / Accelerating voltage: 300 kV / Illumination mode: SPOT SCAN |
Electron lens | Mode: BRIGHT FIELD |
Image recording | Electron dose: 60 e/Å2 / Film or detector model: GATAN K3 (6k x 4k) |
-Processing
Software | Name: PHENIX / Version: 1.19.2_4158: / Classification: refinement | ||||||||||||||||||||||||
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CTF correction | Type: NONE | ||||||||||||||||||||||||
3D reconstruction | Resolution: 2.95 Å / Resolution method: FSC 0.143 CUT-OFF / Num. of particles: 385452 / Symmetry type: POINT | ||||||||||||||||||||||||
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