Protein target profile

KP13_04684

Protein tonB

Genome: KpKP13 Gene: tonB AHE44057.1 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A0H3GUY2
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Length 245
Pocket druggability 0.038
Functional annotation 0 EC 6 GO
Target summary

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

Automated synthesis of the evidence currently loaded. Review the underlying records before prioritizing this protein.

Main supporting evidence

No similar human protein detected The current BLAST sequence screen did not find a significant human match, lowering apparent off-target risk. Core gene across strains Marked as conserved by both pan-genome tools: Roary and CoreCruncher. Structure available AlphaFold DB model + ColabFold model

Risks to review

Microbiome similarity 73 of 4744 screened genomes (1.5%) have a significant similarity hit. Weak predicted binding pocket FPocket selected-pocket score 0.04. Weak second pocket-predictor signal P2Rank predicted binding-site probability 0.01.

Evidence gaps

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.
Terms and data sources used on 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 Target 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.

Prioritization evidence

Selectivity, essentiality, structural confidence, conservation, and predicted binding-site evidence.

Off-target risk

Human off-target
No hit
Gut microbiome similarity
1.5% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG)
Y
DEG identity (%)
67.355 Higher values support similarity to known essential genes.
DEG E-value
6.209999999999999e-89 Smaller values mean stronger essential-gene similarity.

Localization

Localization
Unknown

Structure confidence

ColabFold pLDDT
75.95 0-100 confidence; >70 supports local structural interpretation.

Binding-site evidence

AlphaFold DB / UniProt model

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 0.038
Structure A0A0H3GUY2
Pocket Pocket 6
P2Rank 0.005
Structure A0A0H3GUY2
Pocket Pocket 1
ColabFold model
FPocket 0.379 · Pocket 7
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 73 / 4744 genomes with a hit
Prevalence 1.5%

Cross-references

External database identifiers for this protein, its structures, ligands, and metabolic reactions.

Sequence

UniProt A0A0H3GUY2

Sequence

Primary amino-acid sequence viewer.

MTLDLPRRFPWPTLLSVAIHGAVVAGLLYTSVHQVIEQPSPTQPIEITMVAPADLEPPPAAQPVVEPVVEPEPEPEPEVAPEPPKEAPVVIHKPEPKPKPKPKPKPKPEKKVEQPKREVKPAAEPRPASPFENNNTAPARTAPSTSTAAAKPTVTAPSGPRAISRVQPSYPARAQALRIEGTVRVKFDVSPDGRIDNLQILSAQPANMFEREVKSAMRRWRYQQGRPGTGVTMTIKFRLNGVEIN

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

6 GO

Gene Ontology (GO)

6
  • GO:0055085 The process in which a solute is transported across a lipid bilayer, from one side of a membrane to the other.
  • GO:0030288 The region between the inner (cytoplasmic or plasma) membrane and outer membrane of organisms with two membranes such as Gram negative bacteria. These periplasmic spaces are relatively thick and contain a thin peptidoglycan layer (PGL), also referred to as a thin cell wall.
  • GO:0015891 The directed movement of siderophores, low molecular weight Fe(III)-chelating substances, into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore.
  • GO:0031992 The biological transducer activity that accepts energy and converts it to another form, often by transfer to another molecule within the cell.
  • GO:0098797 Any protein complex that is part of the plasma membrane.
  • 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 domains and features

Domain and signature matches imported from InterPro and related databases.

23 records
Show feature table
Start End DB Term Name
106 123 MobiDBLite mobidb-lite consensus disorder prediction
158 244 Gene3D G3DSA:3.30.2420.10 TonB
160 228 SUPERFAMILY SSF74653 TolA/TonB C-terminal domain
49 167 MobiDBLite mobidb-lite consensus disorder prediction
167 237 Pfam PF03544 Gram-negative bacterial TonB protein C-terminal
167 237 InterPro IPR037682 TonB, C-terminal
12 32 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
1 11 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
33 164 Pfam PF16031 TonB polyproline region
8 240 PANTHER PTHR33446 PROTEIN TONB-RELATED
168 240 NCBIfam TIGR01352 TonB family C-terminal domain
168 240 InterPro IPR006260 TonB/TolA, C-terminal
56 70 MobiDBLite mobidb-lite consensus disorder prediction
33 245 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
162 183 PRINTS PR01374 Gram-negative bacterial tonB protein signature
162 183 InterPro IPR003538 Gram-negative bacterial TonB protein
97 107 PRINTS PR01374 Gram-negative bacterial tonB protein signature
97 107 InterPro IPR003538 Gram-negative bacterial TonB protein
202 219 PRINTS PR01374 Gram-negative bacterial tonB protein signature
202 219 InterPro IPR003538 Gram-negative bacterial TonB protein
183 201 PRINTS PR01374 Gram-negative bacterial tonB protein signature
183 201 InterPro IPR003538 Gram-negative bacterial TonB protein
129 153 MobiDBLite mobidb-lite consensus disorder prediction

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.

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Pocket score High Medium Low
How colors and pocket overlays are used
Uniform protein color marks the displayed model as a single molecular object.
Experimental PDB structures may be colored by chain to distinguish subunits or copies present in the file.
Pocket colors and alpha spheres are evidence overlays for predicted binding cavities; they are not alternative protein chains.
'Alpha spheres' is FPocket's own cavity-shape geometry, imported when available and aligned with the loaded structure.
'Pocket atoms'/'Predicted site atoms' show the pocket's residue atoms instead: P2Rank reports residues rather than alpha spheres, and FPocket falls back to this when alpha-sphere geometry is unavailable or doesn't align.
'No pocket geometry' means neither alpha spheres nor residue-position data could be found for that pocket; the layer just highlights the same residues as 'Nearby residues'.
Pocket details Inspect a specific pocket, or open the full viewer

Binding pockets · P2Rank

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

Site 1 P2Rank #1
0.005
Show in viewer
Surrounding area
All structural evidence 0 experimental · 2 predicted

Structural evidence

0 + 2

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 AF_A0A0H3GUY2
AlphaFold DB — — full sequence — Viewing
ColabFold KP13_04684
ColabFold — — full sequence — Loaded