Download MendeleyA chemical genetic method for conformation-selective kinase inhibition
Register, A.C., Maly, D.J.To be published.
5T0P
c-Src kinase domain in complex with Rao-IV-151
- PDB DOI: https://doi.org/10.2210/pdb5T0P/pdb
- Classification: TRANSFERASE/TRANSFERASE INHIBITOR
- Organism(s): Gallus gallus
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2016-08-16 Released: 2017-08-23
- Funding Organization(s): National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.50 Å
- R-Value Free: 0.323
- R-Value Work: 0.264
- R-Value Observed: 0.267
This is version 1.3 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 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 | |||||
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Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| 73A Query on 73A | C [auth A], D [auth B] | (2E)-3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)prop-2-enamide C22 H23 Cl N6 O2 VJGVUTLADNGMJV-XNTDXEJSSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.50 Å
- R-Value Free: 0.323
- R-Value Work: 0.264
- R-Value Observed: 0.267
- Space Group: P 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 41.675 | α = 102.08 |
| b = 63.922 | β = 90.36 |
| c = 74.994 | γ = 90.14 |
| Software Name | Purpose |
|---|---|
| Aimless | data scaling |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| MOSFLM | data reduction |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2017-08-23 Deposition Author(s): Dieter, E.M., Merritt, E.A., Maly, D.J.
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS) | United States | R01GM086858 |
Revision History (Full details and data files)
- Version 1.0: 2017-08-23
Type: Initial release - Version 1.1: 2018-01-17
Changes: Author supporting evidence - Version 1.2: 2019-12-25
Changes: Author supporting evidence - Version 1.3: 2023-10-04
Changes: Data collection, Database references, Refinement description
