Protein target profile

PA3754

hypothetical protein

Genome: NC_002516.2

Gene: PA3754 3D evidence: AlphaFold DB model UniProt Q9HXP1
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Length 203
Pocket druggability 0.694
EC / GO 0 / 2
Target summary

Target candidate with partial support; inspect missing evidence before prioritizing.

2 signals

Strengths

Moderate predicted binding pocket FPocket selected-pocket score 0.69. This supports review but is not experimental validation. Structure available AlphaFold DB model

Risks / watch

Human similarity Top human hit identity: 38.776%.

Missing evidence

No metabolic context No SBML/network-derived reaction evidence is loaded for this protein. No ligand evidence No experimental PDB ligands, measured ChEMBL bioactivity, or proposed ZINC compound records are available.
How to read this page

PDB: experimentally determined structures from the Protein Data Bank. These are the strongest structural evidence, but may cover only part of the protein.

AlphaFold DB model: a precomputed predicted structure downloaded from AlphaFold Database/UniProt, not an experiment performed here.

ColabFold model: a predicted structure generated for this workspace; interpret it with coverage and confidence.

pLDDT: confidence score for predicted structures. High values support local geometry; low values mean the region should not drive pocket interpretation.

FPocket / P2Rank: software tools that predict possible ligand-binding pockets on a 3D structure. They are useful screening signals, not experimental validation.

Druggability: a pocket-based estimate of whether a small molecule could bind productively. It does not mean a drug already exists.

PDB ligand: a compound observed in an experimental structure. Direct same-protein records are stronger than homolog-transferred records.

ChEMBL: a public database of measured compound bioactivity. Direct entries are stronger than entries transferred from similar proteins.

ZINC: a purchasable-compound database. Here it marks proposed candidates from chemical similarity, not measured binders.

LigQ / LigQ_2: an internal TPW pipeline step that gathers PDB, ChEMBL, and ZINC ligand evidence for each protein.

Off-target: sequence similarity to proteins we prefer not to hit, such as human proteins or beneficial gut microbiome proteins.

DEG: Database of Essential Genes. A match suggests the protein resembles genes known to be essential in other organisms.

Roary / CoreCruncher: pan-genome tools used to decide whether a gene is core across analyzed strains or accessory/strain-specific.

EC / GO: functional annotations: EC describes enzyme reactions; GO describes biological process, molecular function, or cellular component.

KEGG pathway: a curated metabolic route label used here to group reactions imported from the metabolic model.

Chokepoint: a metabolic reaction that is the only producer or consumer of a metabolite in the imported model.

Overview

Basic information about this protein and its source genome.

Accession
PA3754
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA3754
Status
annotated
Amino acids
203
3D evidence
AlphaFold DB model
GO
GO:0010945 Catalysis of the reaction: an acyl-coenzyme A or its derivatives + H2O = adenosine 3',5'-bisphosphate + an acyl-4'-phosphopantetheine + 2 H+. This reaction can also use coenzyme A as a substrate. GO:0046872 Binding to a metal ion.

Target profile

Computed evidence for target prioritization.

Human off-target
Hit
Human identity (%)
38.776
Human E-value
2.91e-12
Gut microbiome off-target
Hit
Essential (DEG)
N
Localization
Cytoplasmic

Selected pocket evidence

The selected pocket score is the FPocket value used for ranking after applying the curated structure priority. It estimates small-molecule pocket quality; it is not experimental binding evidence. The 3D viewer may show a different loaded structure, so visible pockets can differ.

FPocket 0.694
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

MNCTLDELRQRIEAHRPRQLDTDQRFPQAAVLVPITRSDDPELVLTLRAAGLSTHGGEVAFPGGRRDPEDADLVRTALREAEEEIALPPGLVEVVGPLSTLVSRHGIEVTPYVAFIPDFVEYQPNDGEIAAVFNVPLSFFRDDPREVTHRIDYFGRSWYVPSYRFGEFKIWGLTAIMVVELVNLLYDDPIDLHTPPASFIKLS

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

2 GO

Gene Ontology (GO)

2
  • GO:0010945 Catalysis of the reaction: an acyl-coenzyme A or its derivatives + H2O = adenosine 3',5'-bisphosphate + an acyl-4'-phosphopantetheine + 2 H+. This reaction can also use coenzyme A as a substrate.
  • GO:0046872 Binding to a metal ion.

Sequence Features

Domain/signature hits from InterPro and related databases.

11 records
Show feature table
Start End DB Term Name
2 183 Gene3D G3DSA:3.90.79.10 Nucleoside Triphosphate Pyrophosphohydrolase
28 137 Pfam PF00293 NUDIX domain
28 137 InterPro IPR000086 NUDIX hydrolase domain
10 178 SUPERFAMILY SSF55811 Nudix
10 178 InterPro IPR015797 NUDIX hydrolase-like domain superfamily
28 181 CDD cd03426 CoAse
28 181 InterPro IPR045121 Coenzyme A pyrophosphatase
26 160 ProSiteProfiles PS51462 Nudix hydrolase domain profile.
26 160 InterPro IPR000086 NUDIX hydrolase domain
5 189 PANTHER PTHR12992 NUDIX HYDROLASE
5 189 InterPro IPR045121 Coenzyme A pyrophosphatase

3D Structure

Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; AlphaFold DB and ColabFold models typically cover the full protein but remain computational predictions.

3D visualization script Full viewer

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Structural evidence

0 + 1

Experimental PDB entries plus predicted AlphaFold DB or ColabFold models. Click Switch to display a different loaded structure in the viewer.

Entry Method Resolution Chain Coverage Links Status
AlphaFold DB PA3754
AlphaFold DB — — full sequence — Viewing
Pocket details Inspect a specific pocket, or open the full viewer

Binding pockets · FPocket

Druggability: high ≥ 0.7 · medium 0.4–0.69 · low < 0.4

Site 1 FPocket #1
0.694
Show in viewer