Download MendeleyInhibitor Binding by Casein Kinases
Bunkoczi, G., Salah, E., Rellos, P., Das, S., Fedorov, O., Savitsky, P., Debreczeni, J.E., Gileadi, O., Sundstrom, M., Edwards, A., Arrowsmith, C., Weigelt, J., von Delft, F., Knapp, S.To be published.
2IZT
Structure of casein kinase gamma 3 in complex with inhibitor
- PDB DOI: https://doi.org/10.2210/pdb2IZT/pdb
- Classification: TRANSFERASE
- Organism(s): Homo sapiens
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2006-07-26 Released: 2006-08-01
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.277
- R-Value Work: 0.222
- R-Value Observed: 0.225
Starting Model: experimental
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This is version 1.4 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 |
| CASEIN KINASE I ISOFORM GAMMA-3 | 330 | Homo sapiens | Mutation(s): 0 EC: 2.7.11.1 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for Q9Y6M4 (Homo sapiens) Explore Q9Y6M4 Go to UniProtKB: Q9Y6M4 | |||||
PHAROS: Q9Y6M4 GTEx: ENSG00000151292 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q9Y6M4 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| 23D Query on 23D | B [auth A] | N2-[(1R,2S)-2-AMINOCYCLOHEXYL]-N6-(3-CHLOROPHENYL)-9-ETHYL-9H-PURINE-2,6-DIAMINE C19 H24 Cl N7 UTBSBSOBZHXMHI-HUUCEWRRSA-N |  | ||
| CL Query on CL | C [auth A], D [auth A] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.277
- R-Value Work: 0.222
- R-Value Observed: 0.225
- Space Group: P 31 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 56.433 | α = 90 |
| b = 56.433 | β = 90 |
| c = 220.266 | γ = 120 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| XDS | data reduction |
| XDS | data scaling |
| PHASER | phasing |
Entry History
Deposition Data
- Released Date: 2006-08-01 Deposition Author(s): Bunkoczi, G., Salah, E., Rellos, P., Das, S., Fedorov, O., Savitsky, P., Debreczeni, J.E., Gileadi, O., Sundstrom, M., Edwards, A., Arrowsmith, C., Weigelt, J., von Delft, F., Knapp, S.
Revision History (Full details and data files)
- Version 1.0: 2006-08-01
Type: Initial release - Version 1.1: 2011-07-13
Changes: Refinement description, Version format compliance - Version 1.2: 2018-01-24
Changes: Database references, Structure summary - Version 1.3: 2018-04-04
Changes: Data collection - Version 1.4: 2023-12-13
Changes: Data collection, Database references, Other, Refinement description
