9GR7
PsiM in complex with sinefungin
Summary for 9GR7
| Entry DOI | 10.2210/pdb9gr7/pdb |
| Descriptor | Psilocybin synthase, SINEFUNGIN, CHLORIDE ION, ... (4 entities in total) |
| Functional Keywords | psilocybin synthase, methyltransferase, sinefungin, rossmann fold, transferase |
| Biological source | Psilocybe cubensis |
| Total number of polymer chains | 1 |
| Total formula weight | 36341.87 |
| Authors | Hudspeth, J.,Rupp, B.,Werten, S. (deposition date: 2024-09-10, release date: 2024-12-25, Last modification date: 2025-04-16) |
| Primary citation | Leitner, L.,Hudspeth, J.,Werten, S.,Rupp, B. If you cannot see it, is it still there? J.Appl.Crystallogr., 58:615-621, 2025 Cited by PubMed Abstract: Protein crystallographers rely on electron density to build atomic models of molecular structures, yet flexible regions often remain unseen in electron density and are omitted. We suggest that ensemble refinement can be used to visualize and analyse the conformational landscape of such 'invisible' protein segments, which is particularly useful in cases where molecular flexibility plays a functional role. Using ensemble refinement on multiple crystal forms of the fungal methyl-transferase PsiM as an example, we illustrate the dynamic nature of a key substrate recognition loop, demonstrating its potential role in substrate binding and release. Ensemble refinement provides a persuasive visualization of biologically relevant flexible regions and can be a powerful tool for exploring molecular plasticity and aiding the modelling of dynamic protein components. PubMed: 40170967DOI: 10.1107/S160057672500130X PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.04 Å) |
Structure validation
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