Download MendeleyCrystal Structure of Human DAPK1 Catalytic Subunit Complexed with Compound SRM-26-100
Brunzelle, J.S., Shuvalova, L., Roy, S.M., Watterson, D.M.To be published.
9N1T | pdb_00009n1t
Crystal Structure of Human DAPK1 Catalytic Subunit Complexed with Compound SRM-26-100
- PDB DOI: https://doi.org/10.2210/pdb9N1T/pdb
- Classification: TRANSFERASE
- Organism(s): Homo sapiens
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2025-01-27 Released: 2025-03-26
- Funding Organization(s): Not funded
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.43 ?
- R-Value Free: 0.176 (Depositor), 0.180 (DCC)
- R-Value Work: 0.136 (Depositor), 0.148 (DCC)
- R-Value Observed: 0.138 (Depositor)
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 | 293 | 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 | |
| A1BU8 (Subject of Investigation/LOI) Query on A1BU8 | C [auth A] | 3-(4-methylpiperazin-1-yl)-5-(pyridin-4-yl)pyridazine C14 H17 N5 ABRBOSKOXBQLEU-UHFFFAOYSA-N |  | ||
| SO4 Query on SO4 | B [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.43 ?
- R-Value Free: 0.176 (Depositor), 0.180 (DCC)
- R-Value Work: 0.136 (Depositor), 0.148 (DCC)
- R-Value Observed: 0.138 (Depositor)
Space Group: P 21 21 21
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 46.95 | ¦Á = 90 |
| b = 62.52 | ¦Â = 90 |
| c = 88.22 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| xia2 | data reduction |
| Aimless | data scaling |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2025-03-26 Deposition Author(s): Brunzelle, J.S., Shuvalova, L., Roy, S.M., Watterson, D.M.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Not funded | -- |
Revision History (Full details and data files)
- Version 1.0: 2025-03-26
Type: Initial release
