Target Pathogen

Overview

Basic information about this protein and its source genome.

Accession: PA5209
Assembly: Pseudomonas aeruginosa PAO1, complete genome
Gene: PA5209
Status: annotated
Amino acids: 454
Structure source: AlphaFold

GO

GO:0050355 Catalysis of the reaction: H2O + inorganic triphosphate = diphosphate + phosphate. GO:0046872 Binding to a metal ion.

Target profile

Computed evidence for target prioritization.

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

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 0.861

Structure –

Pocket –

Sequence

Primary amino-acid sequence viewer.

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

2 GO

Gene Ontology (GO)

2

GO:0050355 Catalysis of the reaction: H2O + inorganic triphosphate = diphosphate + phosphate.
GO:0046872 Binding to a metal ion.

Sequence Features

Domain/signature hits from InterPro and related databases.

12 records

Show feature table

Start	End	DB	Term	Name
2	205	FunFam	G3DSA:2.40.320.10:FF:000002	Adenylate cyclase
1	211	SUPERFAMILY	SSF55154	CYTH-like phosphatases
1	211	InterPro	IPR033469	CYTH-like domain superfamily
4	203	CDD	cd07756	CYTH-like_Pase_CHAD
2	207	SMART	SM01118	CYTH_2
2	207	InterPro	IPR023577	CYTH domain
1	453	PANTHER	PTHR39569	INORGANIC TRIPHOSPHATASE
1	453	InterPro	IPR039013	Inorganic triphosphatase YgiF
1	203	Gene3D	G3DSA:2.40.320.10	-
3	201	Pfam	PF01928	CYTH domain
3	201	InterPro	IPR023577	CYTH domain
2	207	ProSiteProfiles	PS51707	CYTH domain profile.

3D Structure

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

Loading 3D structure...

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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 PA5209	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				0.564
10				0.289

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.

3 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
3PO	5A60	P30871	258.0 Da LogP -0.69 TPSA 170.8	✓ Ro5	✓ Clean	`OP(=O)(O)OP(=O)(O)OP(=O)(O)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).

Ligand	Tanimoto	MW · LogP · TPSA	Lipinski	PAINS	SMILES
ZINC6827739	1.000	258.0 Da LogP -0.69 TPSA 170.8	✓ Ro5	✓ Clean	`O=P(O)(O)OP(=O)(O)OP(=O)(O)O`
ZINC257355138	0.600	479.9 Da LogP 0.65 TPSA 287.0	2 viol.	✓ Clean	`O=P(=O)O[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P…`

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.

PA5209