Download MendeleyComputational design of a fluorogenic metalloprotein containing the non-canonical amino acid 3-(8-hydroxyquinolin-3-yl)-L-alanine
Kelly, P.I., Henderson, J.N., Mills, J.H.To be published.
8W3Z | pdb_00008w3z
Crystal structure of a computationally designed metalloprotein containing the metal-chelating, fluorogenic, non-canonical amino acid 3-(8-hydroxyquinolin-3-yl)-L-alanine: magnesium-bound form
- PDB DOI: https://doi.org/10.2210/pdb8W3Z/pdb
- Classification: FLUORESCENT PROTEIN, METAL BINDING PROTEIN
- Organism(s): Saccharolobus solfataricus
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2024-02-22 Released: 2025-02-26
- Funding Organization(s): National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.49 ?
- R-Value Free: 0.188 (Depositor), 0.195 (DCC)
- R-Value Work: 0.137 (Depositor), 0.147 (DCC)
- R-Value Observed: 0.139 (Depositor)
Starting Model: experimental
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wwPDB Validation 3D Report Full Report
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 |
| Hydroxyquinoline fluorescent protein | 258 | Saccharolobus solfataricus | Mutation(s): 0 EC: 4.1.1.48 |  | |
UniProt | |||||
Find proteins for Q06121 (Saccharolobus solfataricus (strain ATCC 35092 / DSM 1617 / JCM 11322 / P2)) Explore Q06121 Go to UniProtKB: Q06121 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q06121 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| SO4 Query on SO4 | B [auth A], C [auth A], D [auth A], E [auth A], F [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
| MG Query on MG | G [auth A] | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| HQA Query on HQA | A | L-PEPTIDE LINKING | C12 H12 N2 O3 |  | ALA |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.49 ?
- R-Value Free: 0.188 (Depositor), 0.195 (DCC)
- R-Value Work: 0.137 (Depositor), 0.147 (DCC)
- R-Value Observed: 0.139 (Depositor)
Space Group: P 31 2 1
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 62.752 | ¦Á = 90 |
| b = 62.752 | ¦Â = 90 |
| c = 122.207 | ¦Ă = 120 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| Aimless | data scaling |
| XDS | data reduction |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2025-02-26 Deposition Author(s): Kelly, P.I., Henderson, J.N., Mills, J.H.
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS) | United States | GM136996-04 |
Revision History (Full details and data files)
- Version 1.0: 2025-02-26
Type: Initial release
