Download MendeleyOvercoming Gatekeeper Mutations in cSrc and Abl by Hybrid Compound Design
Richters, A., Getlik, M., Gruetter, C., Schneider, R., Heuckmann, J.M., Heynck, S., Sos, M.L., Thomas, R.K., Rauh, D.To be published.
3TZ7
Kinase domain of cSrc in complex with RL103
- PDB DOI: https://doi.org/10.2210/pdb3TZ7/pdb
- Classification: TRANSFERASE/TRANSFERASE INHIBITOR
- Organism(s): Gallus gallus
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2011-09-27 Released: 2012-10-10
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 3.30 Å
- R-Value Free: 0.256
- R-Value Work: 0.189
- R-Value Observed: 0.193
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 |
| Proto-oncogene tyrosine-protein kinase Src | 286 | Gallus gallus | Mutation(s): 1 Gene Names: SRC, v-Src sarcoma viral oncogene EC: 2.7.10.2 |  | |
UniProt | |||||
Find proteins for P00523 (Gallus gallus) Explore P00523 Go to UniProtKB: P00523 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P00523 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| AQB Query on AQB | C [auth A], D [auth B] | N-(4-{[4-({[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]carbamoyl}amino)phenyl]amino}quinazolin-6-yl)-4-(dimethylamino)butanamide C34 H40 N10 O2 WIVSUJLYDAGUDC-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 3.30 Å
- R-Value Free: 0.256
- R-Value Work: 0.189
- R-Value Observed: 0.193
- Space Group: P 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 42.55 | α = 79.28 |
| b = 64.28 | β = 87.38 |
| c = 75.4 | γ = 90.2 |
| Software Name | Purpose |
|---|---|
| XSCALE | data scaling |
| PHASER | phasing |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| MAR345dtb | data collection |
| XDS | data reduction |
Entry History
Deposition Data
- Released Date: 2012-10-10 Deposition Author(s): Gruetter, C., Richters, A., Rauh, D.
Revision History (Full details and data files)
- Version 1.0: 2012-10-10
Type: Initial release - Version 1.1: 2023-11-01
Changes: Data collection, Database references, Derived calculations, Refinement description
