Download MendeleyCrystal structure of the cdk2 in complex with thiazolylpyrimidine inhibitor
Kang, Y.N., Stuckey, J.A.To be published.
4FKL
Crystal structure of the cdk2 in complex with thiazolylpyrimidine inhibitor
- PDB DOI: https://doi.org/10.2210/pdb4FKL/pdb
- Classification: TRANSFERASE/TRANSFERASE INHIBITOR
- Organism(s): Homo sapiens
- Expression System: Trichoplusia ni
- Mutation(s): Yes
- Deposited: 2012-06-13 Released: 2013-05-08
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.26 Å
- R-Value Free: 0.183
- R-Value Work: 0.151
- R-Value Observed: 0.153
Starting Model: experimental
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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 |
| Cyclin-dependent kinase 2 | 299 | Homo sapiens | Mutation(s): 1 Gene Names: CDK2, CDKN2 EC: 2.7.11.22 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P24941 (Homo sapiens) Explore P24941 Go to UniProtKB: P24941 | |||||
PHAROS: P24941 GTEx: ENSG00000123374 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P24941 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| CK2 Query on CK2 | B [auth A] | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-AMINE C9 H10 N4 S CTFDMGIBHFQWKB-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.26 Å
- R-Value Free: 0.183
- R-Value Work: 0.151
- R-Value Observed: 0.153
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 53.333 | α = 90 |
| b = 71.532 | β = 90 |
| c = 72.486 | γ = 90 |
| Software Name | Purpose |
|---|---|
| MD2 | data collection |
| PHASER | phasing |
| REFMAC | refinement |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
Entry History
Deposition Data
- Released Date: 2013-05-08 Deposition Author(s): Kang, Y.N., Stuckey, J.A.
Revision History (Full details and data files)
- Version 1.0: 2013-05-08
Type: Initial release - Version 1.1: 2013-05-22
Changes: Other - Version 1.2: 2023-09-13
Changes: Data collection, Database references, Derived calculations, Refinement description
