Target Pathogen

Overview

Basic information about this protein and its source genome.

Accession: PA3968
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: rluE PA3968
Status: annotated
Amino acids: 189
Structure source: AlphaFold

EC

5.4.99.20

GO

GO:0160137 Catalysis of the reaction: uridine(2457) in 23S rRNA = pseudouridine(2457) in 23S rRNA. GO:0003723 Binding to an RNA molecule or a portion thereof. GO:0001522 The intramolecular conversion of uridine to pseudouridine within an RNA molecule. GO:0006364 Any process involved in the conversion of a primary ribosomal RNA (rRNA) transcript into one or more mature rRNA molecules. GO:0009982 Catalysis of the reaction: a uridine in RNA = a pseudouridine in RNA. Conversion of uridine in an RNA molecule to pseudouridine by rotation of the C1'-N-1 glycosidic bond of uridine in RNA to a C1'-C5. GO:0016866 Catalysis of the transfer of a functional group from one position to another within a single molecule.

Target profile

Computed evidence for target prioritization.

Human off-target: No hit
Gut microbiome off-target: hit
Essential (DEG): N
Localization: Cytoplasmic

Selected Druggability evidence

Selected Druggability is the FPocket score chosen for ranking using the curated structure priority. The 3D viewer may show a different loaded structure, so its visible pockets can differ.

FPocket 0.829

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 7 GO

Enzyme Commission (EC)

1

5.4.99.20

Gene Ontology (GO)

7

GO:0160137 Catalysis of the reaction: uridine(2457) in 23S rRNA = pseudouridine(2457) in 23S rRNA.
GO:0003723 Binding to an RNA molecule or a portion thereof.
GO:0001522 The intramolecular conversion of uridine to pseudouridine within an RNA molecule.
GO:0006364 Any process involved in the conversion of a primary ribosomal RNA (rRNA) transcript into one or more mature rRNA molecules.
GO:0009982 Catalysis of the reaction: a uridine in RNA = a pseudouridine in RNA. Conversion of uridine in an RNA molecule to pseudouridine by rotation of the C1'-N-1 glycosidic bond of uridine in RNA to a C1'-C5.
GO:0016866 Catalysis of the transfer of a functional group from one position to another within a single molecule.
GO:0009451 The covalent alteration of one or more nucleotides within an RNA molecule to produce an RNA molecule with a sequence that differs from that coded genetically.

Sequence Features

Domain/signature hits from InterPro and related databases.

13 records

Show feature table

Start	End	DB	Term	Name
11	155	Pfam	PF00849	RNA pseudouridylate synthase
11	155	InterPro	IPR006145	Pseudouridine synthase, RsuA/RluA-like
2	74	Gene3D	G3DSA:3.30.70.580	-
2	74	InterPro	IPR020094	Pseudouridine synthase TruA/RsuA/RluB/E/F, N-terminal
15	184	NCBIfam	TIGR00093	pseudouridine synthase
15	184	InterPro	IPR000748	Pseudouridine synthase, RsuA/RluB/E/F
11	184	SUPERFAMILY	SSF55120	Pseudouridine synthase
11	184	InterPro	IPR020103	Pseudouridine synthase, catalytic domain superfamily
46	60	ProSitePatterns	PS01149	Rsu family of pseudouridine synthase signature.
46	60	InterPro	IPR018496	Pseudouridine synthase, RsuA/RluB/E/F, conserved site
75	174	Gene3D	G3DSA:3.30.70.1560	-
75	174	InterPro	IPR042092	Pseudouridine synthase, RsuA/RluB/E/F, catalytic domain
8	184	PANTHER	PTHR47683	PSEUDOURIDINE SYNTHASE FAMILY PROTEIN-RELATED

3D Structure

Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.

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Structural evidence

0 + 1

Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.

Entry	Method	Resolution	Chain	Coverage	Links	Status
AlphaFold PA3968	AlphaFold	—	—	full sequence	—	Viewing

Pocket details FPocket · P2Rank — toggle visibility and zoom from here, or open full viewer

Pockets (FPOCKET)

Showing top-ranked FPocket candidates by druggability. Druggability is color-coded: high (0.7 or higher), medium (0.4 to 0.69), low (below 0.4).

FPOCKET	Sticks	Spheres	Surfaces	Druggability	Labels	Zoom	Positions
2				0.829

Ligand evidence

Ligands grouped by evidence source. PDB ligands keep the source crystal visible, and loaded crystals can be opened directly in the structure viewer.

2 records

Highest-confidence structural evidence: ligands co-crystallized with this exact protein. If the source PDB is loaded in TPW, use Open crystal to inspect it in the structure viewer.

No PDB structure with a co-crystallized ligand found for this exact protein.

Structural evidence inferred from similar proteins. The source crystal indicates where the ligand was observed; the UniProt column identifies the homologous protein carrying that ligand.

Ligand	Source crystal	UniProt (homolog)	MW · LogP · TPSA	Lipinski	PAINS	SMILES
DTT	2OLW	P75966	154.3 Da LogP -0.43 TPSA 40.5	✓ Ro5	✓ Clean	`C([C@@H]([C@H](CS)O)O)S`
URA	1KSK	P0AA43	112.1 Da LogP -0.94 TPSA 65.7	✓ Ro5	✓ Clean	`C1=CNC(=O)NC1=O`

Experimental bioactivity from ChEMBL measured directly on this protein. Score = pchembl (−log Ki/IC₅₀; higher = more potent).

No ChEMBL bioactivity data found for this exact protein.

Bioactivity inferred from similar proteins in ChEMBL. Score = pchembl (−log Ki/IC₅₀; higher = more potent).

No ChEMBL hits found through similar proteins.

Proposed virtual-screening candidates from ZINC. Score = Tanimoto similarity to a known binder (0–1; higher = more similar).

No virtual-screening candidates for this protein.

PDB and ChEMBL records on this protein are shown in full. ChEMBL records from similar proteins are capped at the top 100 per protein (by pchembl) and ZINC at the top 50 (Tanimoto ≥ 0.5). ADME columns are descriptor-based screening flags, not experimental toxicity results.

PA3968