Download MendeleyCrystal structures of the DAPK gatekeeper mutant with N6-modified adenosine analogs.
McNamara, L.K., Schavocky, J.S., Watterson, D.M., Brunzelle, J.S.To be published.
3GU8
Crystal structure of DAPKL93G with N6-cyclopentyladenosine
- PDB DOI: https://doi.org/10.2210/pdb3GU8/pdb
- Classification: TRANSFERASE
- Organism(s): Homo sapiens
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2009-03-28 Released: 2010-03-09
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.60 Å
- R-Value Free: 0.239
- R-Value Work: 0.201
- R-Value Observed: 0.203
This is version 1.3 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 | 295 | Homo sapiens | Mutation(s): 1 Gene Names: DAPK, DAPK1, death-associated protein kinase 1 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 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| 3GU Query on 3GU | B [auth A] | N6-cyclopentyladenosine C15 H21 N5 O4 SQMWSBKSHWARHU-SDBHATRESA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.60 Å
- R-Value Free: 0.239
- R-Value Work: 0.201
- R-Value Observed: 0.203
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 47.109 | α = 90 |
| b = 62.745 | β = 90 |
| c = 88.785 | γ = 90 |
| Software Name | Purpose |
|---|---|
| MOLREP | phasing |
| REFMAC | refinement |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
Entry History
Deposition Data
- Released Date: 2010-03-09 Deposition Author(s): McNamara, L.K., Schumacher, A.M., Schavocky, J.S., Watterson, D.M., Brunzelle, J.S.
Revision History (Full details and data files)
- Version 1.0: 2010-03-09
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2021-10-13
Changes: Database references, Derived calculations - Version 1.3: 2023-09-06
Changes: Data collection, Refinement description
