Protein target profile

PA2068

major facilitator superfamily transporter

Genome: NC_002516.2

Gene: PA2068 3D evidence: AlphaFold DB model UniProt Q9I247
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Length 387
Pocket druggability 0.711
EC / GO 0 / 3
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 0.71. This is a computational pocket signal, not binding validation. Structure available 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
PA2068
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA2068
Status
annotated
Amino acids
387
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:0030395 Binding to lactose, a disaccharide of glucose and galactose, the carbohydrate of milk. GO:0015528 Enables the transfer of a solute or solutes from one side of a membrane to the other according to the reaction: lactose(out) + H+(out) = lactose(in) + H+(in).

Target profile

Computed evidence for target prioritization.

Human off-target
No hit
Gut microbiome off-target
Hit
Essential (DEG)
N
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 0.711
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

MYLIFSGYFAAEGLIYPFWPTWLASLGFGASQIGLLIAAAYWPQVIAGVALTYVADWRIDQLRLATLLAALAGACALLFQLAEGLPLFIALSVLYGAFWTSVLPLTESYLLKRDKAALQNYGRVRAVGSLAFILTATLGGLLLGRFGQQLVPALVGLTMLLTALACLFLRRRSLRRPDSPLPGARRRPDLRGILRQRPLLLAIAAAGMIQLSHSLYFTTASLGWQTLGYSSFSVGAFWGLAVIAEISFFAVSNRILDRHPALQVMLFSSLCAALRWGLLAGSEHLAAILLGQCLHALSFAAYHAAVMRYIRDHAPESARVLTQGIYYSLAVALPMGLASPAAGWLYEGLPQWSYLIMALFALGGAVLVWLALQSARDASTSVFSRSV

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

3 GO

Gene Ontology (GO)

3
  • 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:0030395 Binding to lactose, a disaccharide of glucose and galactose, the carbohydrate of milk.
  • GO:0015528 Enables the transfer of a solute or solutes from one side of a membrane to the other according to the reaction: lactose(out) + H+(out) = lactose(in) + H+(in).

Sequence Features

Domain/signature hits from InterPro and related databases.

48 records
Show feature table
Start End DB Term Name
250 260 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
2 381 PANTHER PTHR23522 BLL5896 PROTEIN
199 217 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
124 146 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
2 23 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
56 61 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
89 111 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
324 346 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
280 284 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
218 228 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1 32 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
188 375 Gene3D G3DSA:1.20.1250.20 MFS general substrate transporter like domains
188 375 InterPro IPR036259 MFS transporter superfamily
373 387 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
82 86 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
106 125 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
261 279 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
33 55 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
87 105 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
150 169 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
199 221 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
188 375 FunFam G3DSA:1.20.1250.20:FF:000616 Transporter major facilitator superfamily
5 367 NCBIfam NF037955 MFS transporter
231 253 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
260 279 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
284 303 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
145 149 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1 384 PIRSF PIRSF004925 HcaT
1 384 InterPro IPR026032 Probable 3-phenylpropionic acid transporter-like
170 198 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
347 351 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
62 81 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
1 175 Gene3D G3DSA:1.20.1250.20 MFS general substrate transporter like domains
1 175 InterPro IPR036259 MFS transporter superfamily
62 84 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
8 347 Pfam PF12832 MFS_1 like family
8 347 InterPro IPR024989 Major facilitator superfamily associated domain
150 169 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
229 249 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
2 374 SUPERFAMILY SSF103473 MFS general substrate transporter
2 374 InterPro IPR036259 MFS transporter superfamily
325 346 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
285 305 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
350 372 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
306 324 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
352 372 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
126 144 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
33 55 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.

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 PA2068
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
0.711
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Site 2 FPocket #1
0.313
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