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Leitner, L., Hudspeth, J., Werten, S., Rupp, B.(2025) J Appl Crystallogr
9GR6
PsiM in complex with SAH, high resolution
- PDB DOI: https://doi.org/10.2210/pdb9GR6/pdb
- Classification: TRANSFERASE
- Organism(s): Psilocybe cubensis
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2024-09-10 Released: 2024-12-25
- Funding Organization(s): Austrian Science Fund, German Research Foundation (DFG)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 0.93 ?
- R-Value Free: 0.160 (Depositor), 0.161 (DCC)
- R-Value Work: 0.146 (Depositor), 0.144 (DCC)
- R-Value Observed: 0.146 (Depositor)
Starting Model: experimental
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This is version 1.1 of the entry. See complete history.
Literature
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Psilocybin synthase | 322 | Psilocybe cubensis | Mutation(s): 0 Gene Names: psiM EC: 2.1.1 |  | |
UniProt | |||||
Find proteins for P0DPA9 (Psilocybe cubensis) Explore P0DPA9 Go to UniProtKB: P0DPA9 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P0DPA9 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| SAH (Subject of Investigation/LOI) Query on SAH | B [auth A] | S-ADENOSYL-L-HOMOCYSTEINE C14 H20 N6 O5 S ZJUKTBDSGOFHSH-WFMPWKQPSA-N |  | ||
| CL Query on CL | C [auth A] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 0.93 ?
- R-Value Free: 0.160 (Depositor), 0.161 (DCC)
- R-Value Work: 0.146 (Depositor), 0.144 (DCC)
- R-Value Observed: 0.146 (Depositor)
Space Group: P 21 21 21
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 49.895 | ¦Á = 90 |
| b = 78.575 | ¦Â = 90 |
| c = 84.013 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| PHENIX | phasing |
| xia2 | data reduction |
| DIALS | data scaling |
Entry History & Funding Information
Deposition Data
- Released Date: 2024-12-25 Deposition Author(s): Hudspeth, J., Rupp, B., Werten, S.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Austrian Science Fund | Austria | I 5192 |
| German Research Foundation (DFG) | Germany | 456463463 |
Revision History (Full details and data files)
- Version 1.0: 2024-12-25
Type: Initial release - Version 1.1: 2025-03-12
Changes: Database references
