Download MendeleyFragment screening diverse active sites
Paik, W.-K., Yosaatmadja, Y., Leung, I., Squire, C.J.To be published.
5UQ0
FGFR1 kinase domain complex with fragment 2,2-dimethyl-2,3-dihydrobenzofuran-7-carboxamide
- PDB DOI: https://doi.org/10.2210/pdb5UQ0/pdb
- Classification: Transferase/Transferase inhibitor
- Organism(s): Homo sapiens
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2017-02-05 Released: 2017-02-22
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.30 Å
- R-Value Free: 0.294
- R-Value Work: 0.234
- R-Value Observed: 0.237
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 |
| Fibroblast growth factor receptor 1 | 311 | Homo sapiens | Mutation(s): 2 Gene Names: FGFR1, BFGFR, CEK, FGFBR, FLG, FLT2, HBGFR EC: 2.7.10.1 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P11362 (Homo sapiens) Explore P11362 Go to UniProtKB: P11362 | |||||
PHAROS: P11362 GTEx: ENSG00000077782 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P11362 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| WP1 Query on WP1 | C [auth A], D [auth B] | 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide C11 H13 N O2 XEJUYZUPHDEACN-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.30 Å
- R-Value Free: 0.294
- R-Value Work: 0.234
- R-Value Observed: 0.237
- Space Group: C 1 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 211.773 | α = 90 |
| b = 51.146 | β = 107.33 |
| c = 65.746 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| XDS | data reduction |
| Aimless | data scaling |
| PHASER | phasing |
Entry History
Deposition Data
- Released Date: 2017-02-22 Deposition Author(s): Paik, W.-K., Squire, C.J.
Revision History (Full details and data files)
- Version 1.0: 2017-02-22
Type: Initial release - Version 1.1: 2023-10-04
Changes: Data collection, Database references, Refinement description
