Protein target profile

PA1693

type III secretion system protein

Genome: NC_002516.2

Gene: PA1693 pscR 3D evidence: AlphaFold DB model UniProt Q9I334
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Length 217
Pocket druggability 0.715
Ligand records 52
EC / GO 0 / 6
Target summary

Promising target candidate with multiple supporting evidence streams.

5 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 0.71. This is a computational pocket signal, not binding validation. Structure available AlphaFold DB model Ligand evidence via structure/bioactivity 2 structural and 0 bioactivity records.

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.
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
PA1693
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA1693 pscR
Status
annotated
Amino acids
217
3D evidence
AlphaFold DB model
GO
GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins. GO:0044780 The assembly of a bacterial-type flagellum, a motor complex composed of an extracellular helical protein filament coupled to a rotary motor embedded in the cell envelope which functions in cell motility. GO:0071978 Bacterial-type flagellum-dependent cell motility in which the action of numerous flagella results in the smooth movement of a group of cells along a solid surface. Swarming motility is observed in groups of bacteria. GO:0009306 The controlled release of proteins from a cell. GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it. GO:0015031 The directed movement of proteins into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.

Target profile

Computed evidence for target prioritization.

Human off-target
No hit
Gut microbiome off-target
Hit
Essential (DEG)
Y
Localization
CytoplasmicMembrane

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 0.715
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

MIQLPDELGLILGLALLALVPFIAVMATSFIKMTVVFSLLRNALGVQQIPPNMAMYGLAIILSLYVMAPVGFATRDYLRNHDVSLSDSASVERFLDEGMAPYRNFLKRQIQEREHTFFMESTRQVWPSEYAERLDPDSLLILLPAFTVSELTRAFEIGFLIYLPFIAIDLIISNILLAMGMMMVSPMTISLPFKLLLFVLLDGWARLTHGLVISYGG

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

6 GO

Gene Ontology (GO)

6
  • GO:0005886 The membrane surrounding a cell that separates the cell from its external environment. It consists of a phospholipid bilayer and associated proteins.
  • GO:0044780 The assembly of a bacterial-type flagellum, a motor complex composed of an extracellular helical protein filament coupled to a rotary motor embedded in the cell envelope which functions in cell motility.
  • GO:0071978 Bacterial-type flagellum-dependent cell motility in which the action of numerous flagella results in the smooth movement of a group of cells along a solid surface. Swarming motility is observed in groups of bacteria.
  • GO:0009306 The controlled release of proteins from a cell.
  • GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
  • GO:0015031 The directed movement of proteins into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.

Sequence Features

Domain/signature hits from InterPro and related databases.

34 records
Show feature table
Start End DB Term Name
10 211 NCBIfam TIGR01102 type III secretion system export apparatus subunit SctR
10 211 InterPro IPR005773 Type III secretion system, Yop virulence translocation protein R-like
216 217 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
51 73 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
30 50 PRINTS PR01302 Type III secretion system inner membrane P protein family signature
30 50 InterPro IPR005838 Type III secretion system inner membrane P protein
144 164 PRINTS PR01302 Type III secretion system inner membrane P protein family signature
144 164 InterPro IPR005838 Type III secretion system inner membrane P protein
165 186 PRINTS PR01302 Type III secretion system inner membrane P protein family signature
165 186 InterPro IPR005838 Type III secretion system inner membrane P protein
11 30 PRINTS PR01302 Type III secretion system inner membrane P protein family signature
11 30 InterPro IPR005838 Type III secretion system inner membrane P protein
50 69 PRINTS PR01302 Type III secretion system inner membrane P protein family signature
50 69 InterPro IPR005838 Type III secretion system inner membrane P protein
189 214 PRINTS PR01302 Type III secretion system inner membrane P protein family signature
189 214 InterPro IPR005838 Type III secretion system inner membrane P protein
1 11 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
195 215 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
3 216 PANTHER PTHR30587 FLAGELLAR BIOSYNTHETIC PROTEIN FLIP
3 216 InterPro IPR005838 Type III secretion system inner membrane P protein
14 211 Pfam PF00813 FliP family
14 211 InterPro IPR005838 Type III secretion system inner membrane P protein
144 159 ProSitePatterns PS01060 Flagella transport protein fliP family signature 1.
144 159 InterPro IPR005838 Type III secretion system inner membrane P protein
73 158 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
12 33 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
9 31 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
53 72 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
159 181 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
159 183 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
34 52 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
184 194 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
192 204 ProSitePatterns PS01061 Flagella transport protein fliP family signature 2.
192 204 InterPro IPR005838 Type III secretion system inner membrane P protein

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 PA1693
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 #2
0.715
Show in viewer
Site 2 FPocket #7
0.341
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Site 3 FPocket #1
0.329
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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.

52 records
Chemistry signal

Structural ligand evidence is available for this target.

Direct evidence 0 52 via homologs
Structural ligands 2 0 loaded crystals
Bioactive compounds 0 50 ZINC proposed compounds
Drug-like & clean 51 0 PAINS alerts
Best available ligand signal
3PH PDB via homolog 705.0 Da · LogP 12.07 · TPSA 119.4 Open detail RCSB PDB
Detail RCSB PDB 3PH PDB via homolog
Detail RCSB PDB LDA PDB via homolog
Detail ZINC ZINC1849937 ZINC proposed compound · Tanimoto 1.000
Detail ZINC ZINC2008702 ZINC proposed compound · Tanimoto 1.000

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.

Show only:
Ligand Source crystal UniProt (homolog) MW · LogP · TPSA Lipinski PAINS SMILES
3PH RCSB PDB
7AH9
P40700 705.0 Da LogP 12.07 TPSA 119.4 2 viol. ✓ Clean CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O…
LDA RCSB PDB
7AH9
P40700 229.4 Da LogP 4.48 TPSA 23.1 ✓ Ro5 ✓ Clean CCCCCCCCCCCC[N+](C)(C)[O-]

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.