Download MendeleyCrystal Structure of TgCDPK1 From Toxoplasma Gondii complexed with GW780159X
Jiang, D.Q., Tempel, W., Loppnau, P., Graslund, S., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Hui, R., Lovato, D.V., Osman, K.T.To be published.
5DVR
Crystal Structure of TgCDPK1 From Toxoplasma Gondii complexed with GW780159X
- PDB DOI: https://doi.org/10.2210/pdb5DVR/pdb
- Classification: TRANSFERASE
- Organism(s): Toxoplasma gondii
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2015-09-21 Released: 2015-09-30
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.40 Å
- R-Value Free: 0.299
- R-Value Work: 0.230
- R-Value Observed: 0.234
This is version 1.1 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-domain protein kinase 1 | 525 | Toxoplasma gondii | Mutation(s): 0 Gene Names: CDPK1 |  | |
UniProt | |||||
Find proteins for Q9BJF5 (Toxoplasma gondii) Explore Q9BJF5 Go to UniProtKB: Q9BJF5 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q9BJF5 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| 5G9 Query on 5G9 | B [auth A] | 4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine C17 H11 Cl N4 S JVXFJMXCRSAZFH-UHFFFAOYSA-N |  | ||
| UNX Query on UNX | C [auth A] D [auth A] E [auth A] F [auth A] G [auth A] | UNKNOWN ATOM OR ION X |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.40 Å
- R-Value Free: 0.299
- R-Value Work: 0.230
- R-Value Observed: 0.234
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 47.96 | α = 90 |
| b = 72.456 | β = 98.22 |
| c = 65.671 | γ = 90 |
| Software Name | Purpose |
|---|---|
| Aimless | data scaling |
| PHENIX | refinement |
| PDB_EXTRACT | data extraction |
| XDS | data reduction |
Entry History
Deposition Data
- Released Date: 2015-09-30 Deposition Author(s): Jiang, D.Q., Tempel, W., Loppnau, P., Graslund, S., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Hui, R., Lovato, D.V., Osman, K.T., Structural Genomics Consortium (SGC)
Revision History (Full details and data files)
- Version 1.0: 2015-09-30
Type: Initial release - Version 1.1: 2023-09-27
Changes: Data collection, Database references, Derived calculations, Refinement description
