Download MendeleyCrystal Structure of the CDK2/Cyclin A complex with oxindole inhibitor
Kang, Y.N., Stuckey, J.A.To be published.
4FX3
Crystal Structure of the CDK2/Cyclin A complex with oxindole inhibitor
- PDB DOI: https://doi.org/10.2210/pdb4FX3/pdb
- Classification: transferase/transferase inhibitor
- Organism(s): Homo sapiens
- Expression System: Spodoptera frugiperda
- Mutation(s): No
- Deposited: 2012-07-02 Released: 2013-05-15
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.75 Å
- R-Value Free: 0.240
- R-Value Work: 0.190
- R-Value Observed: 0.192
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 | 298 | Homo sapiens | Mutation(s): 0 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 | |||||
| |||||
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Cyclin-A2 | 258 | Homo sapiens | Mutation(s): 0 Gene Names: CCN1, CCNA, CCNA2, Cyclin A |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P20248 (Homo sapiens) Explore P20248 Go to UniProtKB: P20248 | |||||
PHAROS: P20248 GTEx: ENSG00000145386 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P20248 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| 60K Query on 60K | E [auth A], H [auth C] | (3Z)-2-oxo-3-[2-(4-sulfamoylphenyl)hydrazinylidene]-2,3-dihydro-1H-indole-5-carboxylic acid C15 H12 N4 O5 S JHTDQQNFBRWRSP-UHFFFAOYSA-N |  | ||
| DTT Query on DTT | F [auth A], G [auth B], I [auth D] | 2,3-DIHYDROXY-1,4-DITHIOBUTANE C4 H10 O2 S2 VHJLVAABSRFDPM-IMJSIDKUSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.75 Å
- R-Value Free: 0.240
- R-Value Work: 0.190
- R-Value Observed: 0.192
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 70.661 | α = 90 |
| b = 163.623 | β = 106.78 |
| c = 72.609 | γ = 90 |
| Software Name | Purpose |
|---|---|
| DENZO | data reduction |
| SCALEPACK | data scaling |
| BUSTER-TNT | refinement |
| PDB_EXTRACT | data extraction |
| MD2 | data collection |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
| PHASER | phasing |
| BUSTER | refinement |
Entry History
Deposition Data
- Released Date: 2013-05-15 Deposition Author(s): Kang, Y.N., Stuckey, J.A.
Revision History (Full details and data files)
- Version 1.0: 2013-05-15
Type: Initial release - Version 1.1: 2017-11-15
Changes: Refinement description - Version 1.2: 2023-09-13
Changes: Data collection, Database references, Derived calculations, Refinement description
