Download MendeleyA novel PAI-I inhibitor and its structural mechanism
Lin, Z.H., Hong, Z.B., Shi, X.L., Hu, L.H., Andreasen, P.A., Huang, M.D.To be published.
3UT3
A novel PAI-I inhibitor and its structural mechanism
- PDB DOI: https://doi.org/10.2210/pdb3UT3/pdb
- Classification: HYDROLASE INHIBITOR
- Organism(s): Homo sapiens
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2011-11-25 Released: 2013-02-06
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.42 Å
- R-Value Free: 0.245
- R-Value Work: 0.202
- R-Value Observed: 0.205
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 |
| Plasminogen activator inhibitor 1 | 375 | Homo sapiens | Mutation(s): 4 Gene Names: SERPINE1, PAI1, PLANH1 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P05121 (Homo sapiens) Explore P05121 Go to UniProtKB: P05121 | |||||
PHAROS: P05121 GTEx: ENSG00000106366 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P05121 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| EMJ Query on EMJ | E [auth B] | 2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione C17 H26 O4 IRSFLDGTOHBADP-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.42 Å
- R-Value Free: 0.245
- R-Value Work: 0.202
- R-Value Observed: 0.205
- Space Group: P 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 65.252 | α = 90.89 |
| b = 74.953 | β = 93.33 |
| c = 103.775 | γ = 115.72 |
| Software Name | Purpose |
|---|---|
| SCALEPACK | data scaling |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
Entry History
Deposition Data
- Released Date: 2013-02-06 Deposition Author(s): Lin, Z.H., Hong, Z.B., Shi, X.L., Hu, L.H., Andreasen, P.A., Huang, M.D.
Revision History (Full details and data files)
- Version 1.0: 2013-02-06
Type: Initial release - Version 1.1: 2023-11-08
Changes: Data collection, Database references, Derived calculations, Refinement description
