5U42
Human PPARdelta ligand-binding domain in complexed with specific agonist 11
- PDB DOI: https://doi.org/10.2210/pdb5U42/pdb
- Classification: protein binding/activator
- Organism(s): Homo sapiens
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No 
- Deposited: 2016-12-03 Released: 2017-03-22 
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.70 Å
- R-Value Free: 0.216 
- R-Value Work: 0.174 
- R-Value Observed: 0.175 
This is version 2.1 of the entry. See complete history. 
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
---|---|---|---|---|---|
Molecule | Chains | Sequence Length | Organism | Details | Image |
Peroxisome proliferator-activated receptor delta | 272 | Homo sapiens | Mutation(s): 0  Gene Names: PPARD, NR1C2, PPARB | ||
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for Q03181 (Homo sapiens) Explore Q03181  Go to UniProtKB:  Q03181 | |||||
PHAROS:  Q03181 GTEx:  ENSG00000112033  | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | Q03181 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
Ligands 4 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
7SM Query on 7SM | D [auth A], K [auth B] | 6-(2-{[cyclopropyl(3'-methoxy[1,1'-biphenyl]-4-carbonyl)amino]methyl}phenoxy)hexanoic acid C30 H33 N O5 LOAQBTNAQOXHNZ-UHFFFAOYSA-N | |||
B7G Query on B7G | C [auth A], I [auth A], J [auth A] | heptyl beta-D-glucopyranoside C13 H26 O6 NIDYWHLDTIVRJT-UJPOAAIJSA-N | |||
PEG Query on PEG | F [auth A], G [auth A], L [auth B], N [auth B] | DI(HYDROXYETHYL)ETHER C4 H10 O3 MTHSVFCYNBDYFN-UHFFFAOYSA-N | |||
PGO Query on PGO | E [auth A], H [auth A], M [auth B], O [auth B] | S-1,2-PROPANEDIOL C3 H8 O2 DNIAPMSPPWPWGF-VKHMYHEASA-N |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.70 Å
- R-Value Free: 0.216 
- R-Value Work: 0.174 
- R-Value Observed: 0.175 
- Space Group: P 1 21 1
Unit Cell:
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 39.66 | α = 90 |
b = 95.13 | β = 98.04 |
c = 96.52 | γ = 90 |
Software Name | Purpose |
---|---|
PHENIX | refinement |
HKL-2000 | data scaling |
PHASER | phasing |
Entry History 
Deposition Data
- Released Date: 2017-03-22  Deposition Author(s): Wu, C.-C., Baiga, T.J., Downes, M., La Clair, J.J., Atkins, A.R., Richard, S.B., Stockley-Noel, T.A., Bowman, M.E., Evans, R.M., Noel, J.P.
Revision History (Full details and data files)
- Version 1.0: 2017-03-22
Type: Initial release - Version 1.1: 2017-03-29
Changes: Database references - Version 1.2: 2017-04-05
Changes: Database references - Version 1.3: 2017-11-22
Changes: Refinement description - Version 2.0: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Atomic model, Data collection, Derived calculations, Structure summary - Version 2.1: 2023-10-04
Changes: Data collection, Database references, Refinement description, Structure summary