Download MendeleyCDPK is a druggable target in the apicomplexan parasite Eimeria
Ojo, K.K., Vidadala, R., Maly, D.J., Van Voorhis, W.C., Merritt, E.A.To be published.
4YUQ
CDPK1 from Eimeria tenella in complex with inhibitor UW1354
- PDB DOI: https://doi.org/10.2210/pdb4YUQ/pdb
- Classification: Transferase/Transferase Inhibitor
- Organism(s): Eimeria tenella
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2015-03-19 Released: 2016-04-06
- Funding Organization(s): National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.80 Å
- R-Value Free: 0.273
- R-Value Work: 0.240
- R-Value Observed: 0.242
Starting Model: experimental
View more details
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 |
| Calmodulin-like domain protein kinase | 491 | Eimeria tenella | Mutation(s): 0 |  | |
UniProt | |||||
Find proteins for Q3HNM4 (Eimeria tenella) Explore Q3HNM4 Go to UniProtKB: Q3HNM4 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q3HNM4 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| KS1 Query on KS1 | G [auth A], L [auth B] | 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine C17 H17 N7 NVRXTLZYXZNATH-UHFFFAOYSA-N |  | ||
| CA Query on CA | C [auth A] D [auth A] E [auth A] F [auth A] H [auth B] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.80 Å
- R-Value Free: 0.273
- R-Value Work: 0.240
- R-Value Observed: 0.242
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 68.701 | α = 90 |
| b = 94.253 | β = 93.06 |
| c = 87.395 | γ = 90 |
| Software Name | Purpose |
|---|---|
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
| PHASER | phasing |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
Entry History & Funding Information
Deposition Data
- Released Date: 2016-04-06 Deposition Author(s): Merritt, E.A.
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID) | United States | AI089441 |
Revision History (Full details and data files)
- Version 1.0: 2016-04-06
Type: Initial release - Version 1.1: 2017-09-20
Changes: Author supporting evidence, Derived calculations - Version 1.2: 2019-12-11
Changes: Author supporting evidence - Version 1.3: 2023-09-27
Changes: Data collection, Database references, Derived calculations, Refinement description - Version 1.4: 2024-10-30
Changes: Structure summary
