Download MendeleyCrystal structure of 3-ketosteroid delta1-dehydrogenase from Rhodococcus erythropolis SQ1 in complex with 9,11-epoxy-17-hydroxypregn-4-ene-3,20-dione actate
Song, S.K., Hu, Y.L., Li, X., Su, Z.D.To be published.
8JOJ
Crystal structure of 3-ketosteroid delta1-dehydrogenase from Rhodococcus erythropolis SQ1 in complex with 9,11-epoxy-17-hydroxypregn-4-ene-3,20-dione actate
- PDB DOI: https://doi.org/10.2210/pdb8JOJ/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Rhodococcus erythropolis
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2023-06-07 Released: 2023-07-12
- Funding Organization(s): Not funded
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.82 ?
- R-Value Free: 0.234
- R-Value Work: 0.189
Starting Model: experimental
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This is version 1.1 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 |
| 3-ketosteroid dehydrogenase | 523 | Rhodococcus erythropolis | Mutation(s): 0 Gene Names: kstD1, BS297_24040, rerp_49010, RERY_47440 EC: 1.3.99.4 |  | |
UniProt | |||||
Find proteins for Q9RA02 (Rhodococcus erythropolis) Explore Q9RA02 Go to UniProtKB: Q9RA02 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q9RA02 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| FAD (Subject of Investigation/LOI) Query on FAD | B [auth A] | FLAVIN-ADENINE DINUCLEOTIDE C27 H33 N9 O15 P2 VWWQXMAJTJZDQX-UYBVJOGSSA-N |  | ||
| UU0 (Subject of Investigation/LOI) Query on UU0 | C [auth A] | 9,11-epoxy-17-hydroxypregn-4-ene-3,20-dione actate C24 H32 O6 FOTDGVYUEIORAP-ITJRCREZSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.82 ?
- R-Value Free: 0.234
- R-Value Work: 0.189
- Space Group: P 31 1 2
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 119.603 | ¦Á = 90 |
| b = 119.603 | ¦Â = 90 |
| c = 117.304 | ¦Ă = 120 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| HKL-2000 | data scaling |
| HKL-2000 | data reduction |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2023-07-12 Deposition Author(s): Hu, Y.L., Li, X., Cheng, X.Y., Song, S.K., Su, Z.D.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Not funded | -- |
Revision History (Full details and data files)
- Version 1.0: 2023-07-12
Type: Initial release - Version 1.1: 2024-05-29
Changes: Data collection
