Download MendeleyFXR with DM175 and NCoA-2 peptide
Kudlinzki, D., Merk, D., Linhard, V.L., Saxena, K., Sreeramulu, S., Nilsson, E., Dekker, N., Wissler, L., Bamberg, K., Schubert-Zsilavecz, M., Schwalbe, H.To be published.
4QE8
FXR with DM175 and NCoA-2 peptide
- PDB DOI: https://doi.org/10.2210/pdb4QE8/pdb
- Classification: TRANSCRIPTION
- Organism(s): Homo sapiens
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2014-05-15 Released: 2015-08-12
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.62 Å
- R-Value Free: 0.273
- R-Value Work: 0.249
- R-Value Observed: 0.252
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 |
| Bile acid receptor | 233 | Homo sapiens | Mutation(s): 0 Gene Names: NR1H4, BAR, FXR, HRR1, RIP14 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for Q96RI1 (Homo sapiens) Explore Q96RI1 Go to UniProtKB: Q96RI1 | |||||
PHAROS: Q96RI1 GTEx: ENSG00000012504 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q96RI1 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Find similar proteins by: Sequence | 3D Structure
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Nuclear receptor coactivator 2 | 13 | Homo sapiens | Mutation(s): 0 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for Q15596 (Homo sapiens) Explore Q15596 Go to UniProtKB: Q15596 | |||||
PHAROS: Q15596 GTEx: ENSG00000140396 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q15596 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| 31D Query on 31D | E [auth A], J [auth B] | 4-({2-[(4-tert-butylbenzoyl)amino]benzoyl}amino)benzoic acid C25 H24 N2 O4 JNIQPWWGQWIPLQ-UHFFFAOYSA-N |  | ||
| MRD Query on MRD | N [auth B] | (4R)-2-METHYLPENTANE-2,4-DIOL C6 H14 O2 SVTBMSDMJJWYQN-RXMQYKEDSA-N |  | ||
| EDO Query on EDO | F [auth A] G [auth A] H [auth A] I [auth A] K [auth B] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.62 Å
- R-Value Free: 0.273
- R-Value Work: 0.249
- R-Value Observed: 0.252
- Space Group: P 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 34.483 | α = 88.89 |
| b = 48.683 | β = 78.1 |
| c = 82.201 | γ = 85.07 |
| Software Name | Purpose |
|---|---|
| PHASER | phasing |
| PHENIX | refinement |
| autoPROC | data scaling |
| ABSCALE | data scaling |
Entry History
Deposition Data
- Released Date: 2015-08-12 Deposition Author(s): Kudlinzki, D., Merk, D., Linhard, V.L., Saxena, K., Sreeramulu, S., Nilsson, E., Dekker, N., Wissler, L., Bamberg, K., Schubert-Zsilavecz, M., Schwalbe, H.
Revision History (Full details and data files)
- Version 1.0: 2015-08-12
Type: Initial release - Version 1.1: 2017-11-22
Changes: Refinement description - Version 1.2: 2024-02-28
Changes: Data collection, Database references, Derived calculations, Refinement description
