Download MendeleyStructure of DDR1 receptor tyrosine kinase in complex with D2164 inhibitor at 2.65 Angstroms resolution.
Bartual, S.G., Ding, K., Wang, Z., Bullock, N.A.To be published.
5FDX
Structure of DDR1 receptor tyrosine kinase in complex with D2164 inhibitor at 2.65 Angstroms resolution.
- PDB DOI: https://doi.org/10.2210/pdb5FDX/pdb
- Classification: TRANSFERASE
- Organism(s): Homo sapiens
- Expression System: Spodoptera frugiperda
- Mutation(s): No
- Deposited: 2015-12-16 Released: 2016-10-26
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.65 Å
- R-Value Free: 0.273
- R-Value Work: 0.194
- R-Value Observed: 0.198
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 |
| Epithelial discoidin domain-containing receptor 1 | 337 | Homo sapiens | Mutation(s): 0 Gene Names: DDR1, CAK, EDDR1, NEP, NTRK4, PTK3A, RTK6, TRKE EC: 2.7.10.1 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for Q08345 (Homo sapiens) Explore Q08345 Go to UniProtKB: Q08345 | |||||
PHAROS: Q08345 GTEx: ENSG00000204580 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q08345 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| 5X1 Query on 5X1 | C [auth A], I [auth B] | 3-[(4-methylpiperazin-1-yl)methyl]-~{N}-[(4~{R})-4-methyl-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinolin-7-yl]-5-(trifluoromethyl)benzamide C28 H31 F3 N6 O FXWGWJNBGHQODS-IBGZPJMESA-N |  | ||
| PEG Query on PEG | H [auth A], K [auth B], L [auth B] | DI(HYDROXYETHYL)ETHER C4 H10 O3 MTHSVFCYNBDYFN-UHFFFAOYSA-N |  | ||
| EDO Query on EDO | D [auth A], E [auth A], F [auth A], G [auth A], J [auth B] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.65 Å
- R-Value Free: 0.273
- R-Value Work: 0.194
- R-Value Observed: 0.198
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 45.548 | α = 90 |
| b = 120.34 | β = 94.87 |
| c = 63.02 | γ = 90 |
| Software Name | Purpose |
|---|---|
| BUSTER | refinement |
| XDS | data reduction |
| Aimless | data scaling |
| PHASER | phasing |
Entry History
Deposition Data
- Released Date: 2016-10-26 Deposition Author(s): Bartual, S.G., Pinkas, D.M., Wang, Z., Ding, K., Mahajan, P., Kupinska, K., Mukhopadhyay, S., Strain-Damerell, C., Chalk, R., Borkowska, O., Talon, R., Kopec, J., Williams, E., Tallant, C., Chaikuad, A., Sorell, F., Newman, J., Burgess-Brown, N., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A., Structural Genomics Consortium (SGC)
Revision History (Full details and data files)
- Version 1.0: 2016-10-26
Type: Initial release - Version 1.1: 2017-12-13
Changes: Structure summary - Version 1.2: 2024-01-10
Changes: Data collection, Database references, Refinement description
