Download MendeleyCrystal structure of WNK3 kinase domain in a diphosphorylated state and in a complex with the inhibitor PP-121
Pinkas, D.M., Daubner, G.M., Bufton, J.C., Bartual, S.G., Sanvitale, C.E., Alessi, D.R., Bullock, A.To be published.
5O2B
Crystal structure of WNK3 kinase domain in a diphosphorylated state and in a complex with the inhibitor PP-121
- PDB DOI: https://doi.org/10.2210/pdb5O2B/pdb
- Classification: STRUCTURAL GENOMICS
- Organism(s): Homo sapiens
- Expression System: Spodoptera frugiperda
- Mutation(s): No
- Deposited: 2017-05-19 Released: 2017-06-28
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.04 Å
- R-Value Free: 0.240
- R-Value Work: 0.199
- R-Value Observed: 0.201
This is version 2.1 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 |
| Serine/threonine-protein kinase WNK3 | 285 | Homo sapiens | Mutation(s): 0 Gene Names: WNK3, KIAA1566, PRKWNK3 EC: 2.7.11.1 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for Q9BYP7 (Homo sapiens) Explore Q9BYP7 Go to UniProtKB: Q9BYP7 | |||||
PHAROS: Q9BYP7 GTEx: ENSG00000196632 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q9BYP7 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| KS1 Query on KS1 | C [auth A], E [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 |  | ||
| NA Query on NA | D [auth A] | SODIUM ION Na FKNQFGJONOIPTF-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.04 Å
- R-Value Free: 0.240
- R-Value Work: 0.199
- R-Value Observed: 0.201
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 60.16 | α = 90 |
| b = 71.253 | β = 103.88 |
| c = 67.8 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| XDS | data reduction |
| XSCALE | data scaling |
| PHASER | phasing |
Entry History
Deposition Data
- Released Date: 2017-06-28 Deposition Author(s): Pinkas, D.M., Bufton, J.C., Newman, J.A., Borkowska, O., Chalk, R., Burgess-Brown, N.A., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A., Structural Genomics Consortium (SGC)
Revision History (Full details and data files)
- Version 1.0: 2017-06-28
Type: Initial release - Version 2.0: 2017-07-19
Changes: Atomic model, Derived calculations, Non-polymer description, Structure summary - Version 2.1: 2019-10-16
Changes: Data collection
