Protein target profile

PA2254

paerucumarin biosynthesis protein PvcA

Genome: NC_002516.2

Gene: pvcA PA2254 3D evidence: Experimental + AlphaFold DB model UniProt Q9I1L5
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Length 328
Pocket druggability 0.722
EC / GO 1 / 1
Target summary

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

4 signals

Strengths

No similar human protein detected The current BLAST sequence screen did not find a significant human match, lowering apparent off-target risk. Strong predicted binding pocket FPocket selected-pocket score 0.72. This is a computational pocket signal, not binding validation. Structure available Experimental + AlphaFold DB model

Risks / watch

No major risk signal surfaced in the loaded evidence.

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
PA2254
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
pvcA PA2254
Status
annotated
Amino acids
328
3D evidence
Experimental + AlphaFold DB model
EC
4.1.99.24
GO
GO:0016829 Catalysis of the cleavage of C-C, C-O, C-N and other bonds by other means than by hydrolysis or oxidation, or conversely adding a group to a double bond. They differ from other enzymes in that two substrates are involved in one reaction direction, but only one in the other direction. When acting on the single substrate, a molecule is eliminated and this generates either a new double bond or a new ring.

Target profile

Computed evidence for target prioritization.

Human off-target
No hit
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 0.722
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

MYAIAEDTLPARVLKELLLYRRRYPEHRQSASEADEIRRIEQVQLPRIAAFIEAGEPIEFVLPAFPAKSPNPGKVLDSRPDMAERLSLSFLNHLCQRIQLFYAPGAKITVCSDGRVFGDLVRIGDAHISAYQDALRLMIEEIGATHIGVFNLEDVRAFEAQRDNHEQLRQLLIGGYAEPLESIRETLLASEEGLLLYRAITRFLYEDGLTPDYQGSKTALQRDAKERAYGVIQRSWAWGALLADQFPRAIRLSIHPQPADSLKFGIHMMPTRDDWLTPWHGVAVNTEDRFVLMKRSEVLELGGELVQINGQPSHYRLPARAARRAAVA

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 1 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

1
  • GO:0016829 Catalysis of the cleavage of C-C, C-O, C-N and other bonds by other means than by hydrolysis or oxidation, or conversely adding a group to a double bond. They differ from other enzymes in that two substrates are involved in one reaction direction, but only one in the other direction. When acting on the single substrate, a molecule is eliminated and this generates either a new double bond or a new ring.

Sequence Features

Domain/signature hits from InterPro and related databases.

7 records
Show feature table
Start End DB Term Name
48 301 Pfam PF05141 Pyoverdine/dityrosine biosynthesis protein
48 301 InterPro IPR007817 Isocyanide synthase/Spore wall maturation protein DIT1
5 317 PANTHER PTHR37285 -
5 317 InterPro IPR007817 Isocyanide synthase/Spore wall maturation protein DIT1
2 325 PIRSF PIRSF037196 PvcA
2 325 InterPro IPR017133 L-tyrosine isonitrile synthase
281 328 Gene3D G3DSA:3.30.60.140 -

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

1 + 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
PDB 3E59
X-ray 2.10 Å A,B,C,D
100.0% 1-328
PDBe RCSB PDBj File
Viewing
AlphaFold DB PA2254
AlphaFold DB — — full sequence — Loaded
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
0.722
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Site 2 FPocket #4
0.363
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Binding pockets · P2Rank

Probability: high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Site 1 P2Rank #1
0.862
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Site 2 P2Rank #2
0.69
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Site 3 P2Rank #3
0.099
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