Download MendeleyInhibitor induced structural effects involving Phe327 in AGC kinases
Alam, K.A., Engh, R.A.To be published.
5N23
Protein kinase A mutants as surrogate model for Aurora B with AT9283 inhibitor
- PDB DOI: https://doi.org/10.2210/pdb5N23/pdb
- Classification: TRANSFERASE
- Organism(s): Homo sapiens
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2017-02-07 Released: 2018-03-14
- Funding Organization(s): Research Council of Norway
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.09 ?
- R-Value Free: 0.239
- R-Value Work: 0.188
- R-Value Observed: 0.192
Starting Model: experimental
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This is version 1.2 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 |
| cAMP-dependent protein kinase catalytic subunit alpha | 352 | Homo sapiens | Mutation(s): 6 Gene Names: PRKACA, PKACA EC: 2.7.11.11 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P17612 (Homo sapiens) Explore P17612 Go to UniProtKB: P17612 | |||||
PHAROS: P17612 GTEx: ENSG00000072062 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P17612 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Find similar proteins by: Sequence | 3D Structure
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| cAMP-dependent protein kinase inhibitor alpha | 20 | Homo sapiens | Mutation(s): 0 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P61925 (Homo sapiens) Explore P61925 Go to UniProtKB: P61925 | |||||
PHAROS: P61925 GTEx: ENSG00000171033 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P61925 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| 35R Query on 35R | C [auth A] | 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea C19 H23 N7 O2 LOLPPWBBNUVNQZ-UHFFFAOYSA-N |  | ||
| Modified Residues 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| SEP Query on SEP | A | L-PEPTIDE LINKING | C3 H8 N O6 P |  | SER |
| TPO Query on TPO | A | L-PEPTIDE LINKING | C4 H10 N O6 P |  | THR |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.09 ?
- R-Value Free: 0.239
- R-Value Work: 0.188
- R-Value Observed: 0.192
- Space Group: P 21 21 21
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 72 | ¦Á = 90 |
| b = 74.54 | ¦Â = 90 |
| c = 79.94 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| XDS | data reduction |
| XSCALE | data scaling |
| MOLREP | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2018-03-14 Deposition Author(s): Alam, K.A., Rothweiler, U., Engh, R.A.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Research Council of Norway | Norway | -- |
Revision History (Full details and data files)
- Version 1.0: 2018-03-14
Type: Initial release - Version 1.1: 2024-01-17
Changes: Data collection, Database references, Refinement description - Version 1.2: 2024-10-23
Changes: Structure summary
