Download MendeleyStructural mechanism of the ligand-activated heterodimeric AHR-ARNT complex
Diao, X., Shang, Q., Guo, M., Huang, Y., Zhang, M., Chen, X., Liang, Y., Sun, X., Zhuang, J., Liu, S., Vogel, C.F.A., Rastinejad, F., Wu, D.To be published.
8XSA
Crystal structure of the DNA-bound AHR-ARNT heterodimer in complex with Indigo
- PDB DOI: https://doi.org/10.2210/pdb8XSA/pdb
- Classification: TRANSCRIPTION
- Organism(s): Homo sapiens, Sus scrofa
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2024-01-09 Released: 2025-01-15
- Funding Organization(s): National Natural Science Foundation of China (NSFC)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.60 Å
- R-Value Free: 0.249
- R-Value Work: 0.195
- R-Value Observed: 0.198
Starting Model: experimental
View more details
wwPDB Validation 3D Report Full Report
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 |
| Aryl hydrocarbon receptor nuclear translocator | 382 | Homo sapiens | Mutation(s): 0 Gene Names: ARNT |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P27540 (Homo sapiens) Explore P27540 Go to UniProtKB: P27540 | |||||
PHAROS: P27540 GTEx: ENSG00000143437 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P27540 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Aryl hydrocarbon receptor | 395 | Sus scrofa | Mutation(s): 0 Gene Names: AHR |  | |
UniProt | |||||
Find proteins for I3LF82 (Sus scrofa) Explore I3LF82 Go to UniProtKB: I3LF82 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | I3LF82 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Find similar nucleic acids by: Sequence | 3D Structure
Entity ID: 3 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Length | Organism | Image | |
| DNAF | 21 | Homo sapiens |  | ||
Sequence AnnotationsExpand | |||||
| |||||
Find similar nucleic acids by: Sequence | 3D Structure
Entity ID: 4 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Length | Organism | Image | |
| DNAR | 21 | Homo sapiens |  | ||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| A1LWK (Subject of Investigation/LOI) Query on A1LWK | F [auth B] | 2-(3-oxidanyl-1H-indol-2-yl)indol-3-one C16 H10 N2 O2 QQILFGKZUJYXGS-UHFFFAOYSA-N |  | ||
| DTT Query on DTT | E [auth A] | 2,3-DIHYDROXY-1,4-DITHIOBUTANE C4 H10 O2 S2 VHJLVAABSRFDPM-IMJSIDKUSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.60 Å
- R-Value Free: 0.249
- R-Value Work: 0.195
- R-Value Observed: 0.198
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 68.016 | α = 90 |
| b = 98.837 | β = 90.41 |
| c = 80.307 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| HKL-3000 | data scaling |
| HKL-3000 | data reduction |
| PHENIX | phasing |
Entry History & Funding Information
Deposition Data
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Natural Science Foundation of China (NSFC) | China | 82373876 |
Revision History (Full details and data files)
- Version 1.0: 2025-01-15
Type: Initial release
