Download MendeleyCrystal Structure of Ketosteroid Isomerase D38ND99N from Pseudomonas testosteroni (tKSI) with 4-Androstene-3,17-dione Bound
Schwans, J., Sunden, F., Gonzalez, A., Tsai, Y., Herschlag, D.To be published.
3NUV | pdb_00003nuv
Crystal structure of ketosteroid isomerase D38ND99N from Pseudomonas testosteroni (tKSI) with 4-Androstene-3,17-dione Bound
- PDB DOI: https://doi.org/10.2210/pdb3NUV/pdb
- Classification: ISOMERASE
- Organism(s): Comamonas testosteroni
- Expression System: Escherichia coli BL21
- Mutation(s): Yes
- Deposited: 2010-07-07 Released: 2011-11-23
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.76 Å
- R-Value Free: 0.198 (Depositor), 0.200 (DCC)
- R-Value Work: 0.176 (Depositor), 0.180 (DCC)
- R-Value Observed: 0.177 (Depositor)
Starting Model: experimental
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This is version 1.2 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 |
| Steroid Delta-isomerase | 125 | Comamonas testosteroni | Mutation(s): 2 Gene Names: ksi EC: 5.3.3.1 |  | |
UniProt | |||||
Find proteins for P00947 (Comamonas testosteroni) Explore P00947 Go to UniProtKB: P00947 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P00947 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| ASD Query on ASD | C [auth A], E [auth B] | 4-ANDROSTENE-3-17-DIONE C19 H26 O2 AEMFNILZOJDQLW-QAGGRKNESA-N |  | ||
| SO4 Query on SO4 | D [auth A], F [auth B], G [auth B], H [auth B], I [auth B] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.76 Å
- R-Value Free: 0.198 (Depositor), 0.200 (DCC)
- R-Value Work: 0.176 (Depositor), 0.180 (DCC)
- R-Value Observed: 0.177 (Depositor)
Space Group: P 32 1 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 59.785 | α = 90 |
| b = 59.785 | β = 90 |
| c = 144.499 | γ = 120 |
| Software Name | Purpose |
|---|---|
| SCALA | data scaling |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| XDS | data reduction |
| MOLREP | phasing |
Entry History
Deposition Data
- Released Date: 2011-11-23 Deposition Author(s): Gonzalez, A., Tsai, Y., Schwans, J., Sunden, F., Herschlag, D.
Revision History (Full details and data files)
- Version 1.0: 2011-11-23
Type: Initial release - Version 1.1: 2023-09-06
Changes: Data collection, Database references, Derived calculations, Refinement description - Version 1.2: 2024-10-09
Changes: Structure summary
