Download MendeleyCrystal Structure of Human DAPK1 Catalytic Subunit Complexed with Compound MW01-9-039SRM.
Minasov, G., Winsor, J., Roy, S.M., Watterson, D.M., Shuvalova, L.To be published.
9MIU
Crystal Structure of Human DAPK1 Catalytic Subunit Complexed with Compound MW01-9-039SRM.
- PDB DOI: https://doi.org/10.2210/pdb9MIU/pdb
- Classification: TRANSFERASE
- Organism(s): Homo sapiens
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2024-12-13 Released: 2024-12-25
- Funding Organization(s): National Institutes of Health/National Institute on Aging (NIH/NIA)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.197
- R-Value Work: 0.157
- R-Value Observed: 0.159
Starting Model: experimental
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This is version 1.0 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 |
| Death-associated protein kinase 1 | 304 | Homo sapiens | Mutation(s): 0 Gene Names: DAPK1, DAPK EC: 2.7.11.1 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P53355 (Homo sapiens) Explore P53355 Go to UniProtKB: P53355 | |||||
PHAROS: P53355 GTEx: ENSG00000196730 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P53355 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| A1BLJ (Subject of Investigation/LOI) Query on A1BLJ | B [auth A] | 6-chloro-N,N-dimethyl-5-(pyridin-4-yl)pyridazin-3-amine C11 H11 Cl N4 TXDDCILZWXYXEH-UHFFFAOYSA-N |  | ||
| SO4 Query on SO4 | C [auth A], D [auth A], E [auth A], F [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.197
- R-Value Work: 0.157
- R-Value Observed: 0.159
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 46.986 | α = 90 |
| b = 62.627 | β = 90 |
| c = 88.501 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| HKL-3000 | data reduction |
| HKL-3000 | data scaling |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2024-12-25 Deposition Author(s): Minasov, G., Winsor, J., Roy, S.M., Watterson, D.M., Shuvalova, L.
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Institutes of Health/National Institute on Aging (NIH/NIA) | United States | AG066722 |
Revision History (Full details and data files)
- Version 1.0: 2024-12-25
Type: Initial release
