Protein target profile

PA4235

bacterioferritin

Genome: NC_002516.2

Gene: PA4235 ftnA bfrA 3D evidence: Experimental + AlphaFold DB model UniProt Q9HWF9
Export view
Length 154
Pocket druggability 0.701
Ligand records 61
EC / GO 1 / 8
Target summary

Promising target candidate with multiple supporting evidence streams.

6 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 0.70. This is a computational pocket signal, not binding validation. Structure available Experimental + AlphaFold DB model Direct ligand evidence 1 direct ligand 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
PA4235
Assembly
Pseudomonas aeruginosa PAO1, complete genome
Gene
PA4235 ftnA bfrA
Status
annotated
Amino acids
154
3D evidence
Experimental + AlphaFold DB model
EC
1.16.3.1
GO
GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes. GO:0008199 Binding to a ferric iron ion, Fe(III). GO:0004322 Catalysis of the reaction: 4 Fe2+ + 4 H+ + O2 = 4 Fe3+ + 2 H2O. GO:0020037 Binding to a heme, a compound composed of iron complexed in a porphyrin (tetrapyrrole) ring. GO:0005506 Binding to an iron (Fe) ion. GO:0140315 Binding to an iron ion to prevent it from interacting with other partners or to inhibit its localization to the area of the cell or complex where it is active.

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 0.701
Structure –
Pocket –

Sequence

Primary amino-acid sequence viewer.

MQGHPEVIDYLNTLLTGELAARDQYFIHSRMYEDWGFSKLYERLNHEMEEETQHADALLRRILLLEGTPRMRPDDIHPGTTVPEMLEADLKLERHVRAALAKGIALCEQHKDFVSRDILKAQLADTEEDHAYWLEQQLGLIARMGLENYLQSQI

Functional Annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 8 GO

Enzyme Commission (EC)

1

Gene Ontology (GO)

8
  • GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
  • GO:0008199 Binding to a ferric iron ion, Fe(III).
  • GO:0004322 Catalysis of the reaction: 4 Fe2+ + 4 H+ + O2 = 4 Fe3+ + 2 H2O.
  • GO:0020037 Binding to a heme, a compound composed of iron complexed in a porphyrin (tetrapyrrole) ring.
  • GO:0005506 Binding to an iron (Fe) ion.
  • GO:0140315 Binding to an iron ion to prevent it from interacting with other partners or to inhibit its localization to the area of the cell or complex where it is active.
  • GO:0006879 A homeostatic process involved in the maintenance of a steady state level of iron ions within a cell.
  • GO:0006826 The directed movement of iron (Fe) ions 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.

30 records
Show feature table
Start End DB Term Name
1 154 Gene3D G3DSA:1.20.1260.10 -
1 154 InterPro IPR012347 Ferritin-like
1 145 ProSiteProfiles PS50905 Ferritin-like diiron domain profile.
1 145 InterPro IPR009040 Ferritin-like diiron domain
41 61 Coils Coil Coil
2 153 PANTHER PTHR30295 BACTERIOFERRITIN
1 19 ProSitePatterns PS00549 Bacterioferritin signature.
1 19 InterPro IPR002024 Bacterioferritin
1 154 SUPERFAMILY SSF47240 Ferritin-like
1 154 InterPro IPR009078 Ferritin-like superfamily
2 154 CDD cd00907 Bacterioferritin
2 154 InterPro IPR002024 Bacterioferritin
85 105 PRINTS PR00601 Bacterioferritin signature
85 105 InterPro IPR002024 Bacterioferritin
128 149 PRINTS PR00601 Bacterioferritin signature
128 149 InterPro IPR002024 Bacterioferritin
23 43 PRINTS PR00601 Bacterioferritin signature
23 43 InterPro IPR002024 Bacterioferritin
3 22 PRINTS PR00601 Bacterioferritin signature
3 22 InterPro IPR002024 Bacterioferritin
106 126 PRINTS PR00601 Bacterioferritin signature
106 126 InterPro IPR002024 Bacterioferritin
44 64 PRINTS PR00601 Bacterioferritin signature
44 64 InterPro IPR002024 Bacterioferritin
1 154 PIRSF PIRSF002560 Bacterioferritin
1 154 InterPro IPR002024 Bacterioferritin
1 154 NCBIfam TIGR00754 bacterioferritin
8 144 Pfam PF00210 Ferritin-like domain
8 144 InterPro IPR008331 Ferritin/DPS protein domain
1 154 FunFam G3DSA:1.20.1260.10:FF:000005 Bacterioferritin

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

Loading 3D structure...

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Structural evidence

7 + 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 3R2K
X-ray 1.55 Å A
100.0% 1-154
PDBe RCSB PDBj File
Viewing
PDB 3R2R
X-ray 1.65 Å A
100.0% 1-154
PDBe RCSB PDBj File
Loaded
PDB 3R2H
X-ray 1.70 Å A
100.0% 1-154
PDBe RCSB PDBj File
Loaded
PDB 3R2M
X-ray 1.80 Å A
100.0% 1-154
PDBe RCSB PDBj File
Loaded
PDB 3R2L
X-ray 1.85 Å A
100.0% 1-154
PDBe RCSB PDBj File
Loaded
PDB 3R2O
X-ray 1.95 Å A
100.0% 1-154
PDBe RCSB PDBj File
Loaded
PDB 3R2S
X-ray 2.10 Å A
100.0% 1-154
PDBe RCSB PDBj File
Loaded
AlphaFold DB PA4235
AlphaFold DB — — full sequence — Loaded
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
1 0.701

Pockets (P2RANK)

Showing top-ranked P2Rank candidates by probability. Probability is color-coded per P2Rank calibration: high (≥ 0.5), medium (0.2 – 0.49), low (< 0.2).

P2RANK Sticks Spheres Surfaces Score Probability Labels Zoom Positions
1 1.62 0.026
2 1.05 0.006
3 1.02 0.006

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.

61 records
Chemistry signal

Structural ligand evidence is available for this target.

Direct evidence 1 60 via homologs
Structural ligands 11 1 loaded crystals
Bioactive compounds 0 50 ZINC proposed compounds
Drug-like & clean 53 8 PAINS alerts
Best available ligand signal
CXS PDB co-crystal 221.3 Da · LogP 1.19 · TPSA 66.4 Open detail RCSB PDB
Detail RCSB PDB CXS PDB co-crystal
Detail RCSB PDB BTB PDB via homolog
Detail RCSB PDB FES PDB via homolog
Detail RCSB PDB KSY PDB via homolog

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.

Show only:
Ligand Source crystal MW · LogP · TPSA Lipinski PAINS SMILES
CXS RCSB PDB
3R2H 1.70 Å Open crystal
221.3 Da LogP 1.19 TPSA 66.4 ✓ Ro5 ✓ Clean C1CCC(CC1)NCCCS(=O)(=O)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.