Download MendeleyLeishmania infantum Glycogen Synthase Kinase 3 beta bound to AZD5438
Ramos, P.Z., dos Reis, C.V., Counago, R.M.To be published.
7S6U
Leishmania infantum Glycogen Synthase Kinase 3 beta bound to AZD5438
- PDB DOI: https://doi.org/10.2210/pdb7S6U/pdb
- Classification: TRANSFERASE/INHIBITOR
- Organism(s): Leishmania infantum
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2021-09-15 Released: 2022-11-09
- Funding Organization(s): Sao Paulo Research Foundation (FAPESP), Brazilian National Council for Scientific and Technological Development (CNPq)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.74 Å
- R-Value Free: 0.200
- R-Value Work: 0.173
- R-Value Observed: 0.175
Starting Model: experimental
View more details
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 |
| Glycogen synthase kinase 3 | 356 | Leishmania infantum | Mutation(s): 0 Gene Names: GSK3, LINF_180007700, LINJ_18_0270 EC: 2.7.11.1 |  | |
UniProt | |||||
Find proteins for A4HXQ3 (Leishmania infantum) Explore A4HXQ3 Go to UniProtKB: A4HXQ3 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | A4HXQ3 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| FB8 Query on FB8 | B [auth A] | 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine C18 H21 N5 O2 S WJRRGYBTGDJBFX-UHFFFAOYSA-N |  | ||
| CAC Query on CAC | F [auth A] | CACODYLATE ION C2 H6 As O2 OGGXGZAMXPVRFZ-UHFFFAOYSA-M |  | ||
| EDO Query on EDO | C [auth A], D [auth A], E [auth A] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| PTR Query on PTR | A | L-PEPTIDE LINKING | C9 H12 N O6 P |  | TYR |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.74 Å
- R-Value Free: 0.200
- R-Value Work: 0.173
- R-Value Observed: 0.175
- Space Group: C 1 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 156.368 | α = 90 |
| b = 39.519 | β = 100.53 |
| c = 62.608 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| XDS | data reduction |
| Aimless | data scaling |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2022-11-09 Deposition Author(s): dos Reis, C.V., Ramos, P.Z., Counago, R.M.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Sao Paulo Research Foundation (FAPESP) | Brazil | 2013/50724-5 |
| Brazilian National Council for Scientific and Technological Development (CNPq) | Brazil | 465651/2014-3 |
| Sao Paulo Research Foundation (FAPESP) | Brazil | 2014/50897-0 |
Revision History (Full details and data files)
- Version 1.0: 2022-11-09
Type: Initial release - Version 1.1: 2023-10-18
Changes: Data collection, Refinement description - Version 1.2: 2023-11-15
Changes: Data collection - Version 1.3: 2024-10-16
Changes: Structure summary
