Download MendeleyCrystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain complex with 444
Lu, J., Rastinejad, F.To be published.
5K3L
Crystal structure of Retinoic acid receptor-related orphan receptor (ROR) gamma ligand binding domain complex with 444
- PDB DOI: https://doi.org/10.2210/pdb5K3L/pdb
- Classification: PROTEIN BINDING
- Organism(s): Homo sapiens
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2016-05-19 Released: 2017-05-31
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.75 Å
- R-Value Free: 0.264
- R-Value Work: 0.239
- R-Value Observed: 0.242
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 |
| Nuclear receptor ROR-gamma | 247 | Homo sapiens | Mutation(s): 0 Gene Names: RORC, NR1F3, RORG, RZRG |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P51449 (Homo sapiens) Explore P51449 Go to UniProtKB: P51449 | |||||
PHAROS: P51449 GTEx: ENSG00000143365 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P51449 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| 444 Query on 444 | E [auth A], F [auth B], G [auth C], H [auth D] | N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE C17 H12 F9 N O3 S SGIWFELWJPNFDH-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.75 Å
- R-Value Free: 0.264
- R-Value Work: 0.239
- R-Value Observed: 0.242
- Space Group: P 31
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 89.558 | α = 90 |
| b = 89.558 | β = 90 |
| c = 153.286 | γ = 120 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| HKL-2000 | data collection |
| PDB_EXTRACT | data extraction |
| HKL-3000 | data reduction |
| HKL-3000 | data scaling |
| PHASER | phasing |
Entry History
Deposition Data
- Released Date: 2017-05-31 Deposition Author(s): Huang, P., Rastinejad, F.
Revision History (Full details and data files)
- Version 1.0: 2017-05-31
Type: Initial release - Version 1.1: 2024-03-06
Changes: Data collection, Database references
