Download MendeleyUnc-51-Like Kinase 3 (ULK3) In Complex With Momelotinib
Mathea, S., Salah, E., Moroglu, M., Scorah, A., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Huber, K., Knapp, S.To be published.
6FDZ
Unc-51-Like Kinase 3 (ULK3) In Complex With Momelotinib
- PDB DOI: https://doi.org/10.2210/pdb6FDZ/pdb
- Classification: TRANSFERASE
- Organism(s): Homo sapiens
- Expression System: Spodoptera frugiperda
- Mutation(s): No
- Deposited: 2017-12-27 Released: 2018-08-01
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.55 Å
- R-Value Free: 0.301
- R-Value Work: 0.230
- R-Value Observed: 0.234
Starting Model: experimental
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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 |
| Serine/threonine-protein kinase ULK3 | A [auth U] | 276 | Homo sapiens | Mutation(s): 0 Gene Names: ULK3 EC: 2.7.11.1 |  |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for Q6PHR2 (Homo sapiens) Explore Q6PHR2 Go to UniProtKB: Q6PHR2 | |||||
PHAROS: Q6PHR2 GTEx: ENSG00000140474 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q6PHR2 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| C87 (Subject of Investigation/LOI) Query on C87 | B [auth U] | Momelotinib C23 H22 N6 O2 ZVHNDZWQTBEVRY-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.55 Å
- R-Value Free: 0.301
- R-Value Work: 0.230
- R-Value Observed: 0.234
- Space Group: P 61 2 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 75.836 | α = 90 |
| b = 75.836 | β = 90 |
| c = 214.691 | γ = 120 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| xia2 | data reduction |
| xia2 | data scaling |
| PHASER | phasing |
Entry History
Deposition Data
- Released Date: 2018-08-01 Deposition Author(s): Mathea, S., Salah, E., Moroglu, M., Scorah, A., Pike, A.C.W., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Huber, K., Knapp, S.
Revision History (Full details and data files)
- Version 1.0: 2018-08-01
Type: Initial release - Version 1.1: 2024-01-17
Changes: Data collection, Database references, Refinement description
