Download MendeleyBiosynthesis of Spiromarmycin Reveals the Unusual Formation of Benzopyran and the Mechanistic Insight of a Promiscuous Short Chain reductase Spm14
Jing, L.Q., Chen, Y.Y., Peng, M., Ju, J.H., Wu, D.L.To be published.
9K8R
Structure of Promiscuous short chain dehydrogenase Spm14 in complex with NADPH
- PDB DOI: https://doi.org/10.2210/pdb9K8R/pdb
- Classification: BIOSYNTHETIC PROTEIN
- Organism(s): Spiromastix sp. SCSIO F190
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2024-10-24 Released: 2025-02-12
- Funding Organization(s): Other government
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 3.10 ?
- R-Value Free: 0.201 (Depositor), 0.203 (DCC)
- R-Value Work: 0.184 (Depositor), 0.185 (DCC)
- R-Value Observed: 0.184 (Depositor)
Starting Model: experimental
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This is version 1.0 of the entry. See complete history.
Literature
To be published.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Spm14 | 293 | Spiromastix sp. SCSIO F190 | Mutation(s): 0 |  | |
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| NAP (Subject of Investigation/LOI) Query on NAP | C [auth A], D [auth B] | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE C21 H28 N7 O17 P3 XJLXINKUBYWONI-NNYOXOHSSA-N |  | ||
| TRS Query on TRS | E [auth B] | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL C4 H12 N O3 LENZDBCJOHFCAS-UHFFFAOYSA-O |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 3.10 ?
- R-Value Free: 0.201 (Depositor), 0.203 (DCC)
- R-Value Work: 0.184 (Depositor), 0.185 (DCC)
- R-Value Observed: 0.184 (Depositor)
Space Group: P 32 1 2
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 123.285 | ¦Á = 90 |
| b = 123.285 | ¦Â = 90 |
| c = 98.611 | ¦Ă = 120 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| HKL-3000 | data scaling |
| HKL-3000 | data reduction |
| PHENIX | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2025-02-12 Deposition Author(s): Jing, L.Q., Peng, M., Chen, Y.Y., Ju, J.H., Wu, D.L.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Other government | -- |
Revision History (Full details and data files)
- Version 1.0: 2025-02-12
Type: Initial release
