Genome KpKP13

Protein target profile

Putative permease

Accession: KP13_00039

Gene: AHE47150.1 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A0H3H0H6
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Length 445
Pocket druggability (P2Rank) 0.728
Direct ligand evidence 0 10 total records
Functional annotation 0 EC 6 GO
Target summary

Strong target candidate with converging metabolic, structural and chemical evidence.

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

Main supporting evidence

Independent pocket support: P2Rank + FPocket Both predictors report a high-scoring binding site (P2Rank 0.73, FPocket 0.89). Use the 3D pocket comparison to verify whether they identify the same site. 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. Strong predicted binding pocket FPocket selected-pocket score 0.89. This is a computational pocket signal, not binding validation. Review the complete evidence below

Risks to review

Microbiome similarity 181 of 4744 screened genomes (3.8%) have a significant similarity hit. This target also has a predicted binding pocket (P2Rank 0.73) — check the ligand evidence before deprioritizing on off-target risk alone.

Evidence gaps

No metabolic context No SBML/network-derived reaction evidence is loaded for this protein.
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
3.8% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG)
Y
DEG identity (%)
48.961 Higher values support similarity to known essential genes.
DEG E-value
2e-139 Smaller values mean stronger essential-gene similarity.

Structure confidence

ColabFold pLDDT
89.88 0-100 confidence; >70 supports local structural interpretation.

Binding-site evidence

AlphaFold DB / UniProt model

P2Rank's binding-site probability is the primary druggability signal shown across the app; FPocket's druggability score is shown alongside it for comparison. Both estimate small-molecule pocket quality after applying the curated structure priority — neither is experimental binding evidence. The 3D viewer may show a different loaded structure, so visible pockets can differ.

Druggability (P2Rank) 0.728
Structure A0A0H3H0H6
Pocket Pocket 1
Druggability (FPocket) 0.887
Structure A0A0H3H0H6
Pocket Pocket 10
ColabFold model
P2Rank 0.683 · Pocket 1
FPocket 0.994 · Pocket 20
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 181 / 4744 genomes with a hit
Prevalence 3.8%

Cross-references

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

Sequence

UniProt A0A0H3H0H6

Chemistry

ChEMBL CHEMBL4166601 ChEMBL CHEMBL4170020 ChEMBL CHEMBL4176165 ChEMBL CHEMBL4177224

Sequence

Primary amino-acid sequence viewer.

MSQQQTSQSSGQGLLERVFKLREHGTTVRTEAIAGFTTFLTMVYIVFVNPQILGVAGMDTSAVFVTTCLIAAFGSILMGLFANLPVALAPAMGLNAFFAFVVVQAMGLPWQVGMGAIFWGAVGLLLLTIFRVRYWMIANIPLSLRVGITSGIGLFIGMMGLKNAGVIVANPETLVSIGHLTSHSVLLGVLGFFIIAILASRNIHAAVLVSIVVTTLLGWMLGDVHYTGIVSAPPSVASVIGQVDLAGSLNLGLAGVIFSFMLVNLFDSSGTLIGVTDKAGLADANGKFPRMKQALFVDSVSSVAGSFIGTSSVTAYIESSSGVSVGGRTGLTAVVVGILFLLVIFLSPLAGMVPGYAAAGALIYVGVLMTSSLARVKWSDLTEAVPAFITAVMMPFSFSITEGIALGFISYCVMKIGTGRLRELSPCVIIVSLLFVLKIVFIDAH

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

6 GO

Subcellular localization

Localization
CytoplasmicMembrane

Gene Ontology (GO)

6
  • GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
  • GO:0022857 Enables the transfer of a substance, usually a specific substance or a group of related substances, from one side of a membrane to the other.
  • GO:0015205 Enables the transfer of a nucleobase, any nitrogenous base that is a constituent of a nucleoside, nucleotide, or nucleic acidfrom one side of a membrane to the other.
  • GO:0055085 The process in which a solute is transported across a lipid bilayer, from one side of a membrane to the other.
  • 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:0015207 Enables the transfer of adenine, 6-aminopurine, from one side of a membrane to the other.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

46 records
Show feature table
Start End DB Term Name
327 349 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
443 445 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
206 226 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
246 266 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
142 161 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
388 412 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
205 222 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
31 404 Pfam PF00860 Permease family
31 404 InterPro IPR006043 Nucleobase cation symporter 2 family
267 294 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
227 245 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
253 275 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
200 205 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
377 387 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
356 376 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
389 411 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
181 199 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
162 180 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
329 349 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
82 87 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
356 374 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
413 423 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
295 317 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
350 355 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
1 31 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
424 442 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
5 444 PIRSF PIRSF005353 PbuG
5 444 InterPro IPR026033 Azaguanine-like transporters, bacteria and archaea type
113 135 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
318 328 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.
30 52 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
57 61 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
62 84 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
86 108 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
142 161 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
88 106 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
176 198 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
131 141 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
112 130 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
295 317 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
32 56 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
424 442 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
4 437 PANTHER PTHR43337 XANTHINE/URACIL PERMEASE C887.17-RELATED
4 437 InterPro IPR045018 Azaguanine-like transporters
107 111 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.

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

Pocket 1 P2Rank #1
0.728
Likely same site as FPocket 1 2.4 Å 18 shared residues 90% of smaller site
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Surrounding area
Pocket 2 P2Rank #2
0.553
Likely same site as FPocket 10 0.2 Å 13 shared residues 87% of smaller site
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Surrounding area
Pocket 3 P2Rank #3
0.19
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Surrounding area
Pocket 4 P2Rank #4
0.187
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Surrounding area
Pocket 5 P2Rank #5
0.083
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Surrounding area

Binding pockets · FPocket

Druggability: high ≥ 0.7 · medium 0.4–0.69 · low < 0.4

Pocket 1 FPocket #10
0.887
Likely same site as P2Rank 2 0.2 Å 13 shared residues 87% of smaller site
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Surrounding area
Pocket 2 FPocket #1
0.871
Likely same site as P2Rank 1 2.4 Å 18 shared residues 90% of smaller site
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Surrounding area
Pocket 3 FPocket #8
0.823
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Surrounding area
Pocket 4 FPocket #4
0.244
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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_A0A0H3H0H6
AlphaFold DB — — full sequence — Viewing
ColabFold KP13_00039
ColabFold — — full sequence — Loaded

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.

10 records
Chemistry signal

Bioactivity evidence is available for this target.

Direct evidence 0 same-protein records
Transferred evidence 4 records from similar proteins
Structural ligands 0 0 loaded crystals
Measured bioactivity 4 direct and transferred ChEMBL records
Proposed compounds 6 similarity-based ZINC candidates
Best available ligand signal
CHEMBL4166601 ChEMBL via homolog 301.4 Da · LogP 3.63 · TPSA 66.5 Open detail ChEMBL
CHEMBL4170020 ChEMBL via homolog Detail ChEMBL
CHEMBL4176165 ChEMBL via homolog Detail ChEMBL
CHEMBL4177224 ChEMBL via homolog Detail ChEMBL
ZINC1109800 ZINC proposed compound · Tanimoto 0.534 Detail ZINC

Bioactivity inferred from similar proteins in ChEMBL. Score = pchembl (−log Ki/IC₅₀; higher = more potent).

Show only:
Ligand UniProt (homolog) pchembl MW · LogP · TPSA Lipinski PAINS SMILES
CHEMBL4166601 ChEMBL G5EB00 — 301.4 Da LogP 3.63 TPSA 66.5 ✓ Ro5 ✓ Clean c1ccc(CNc2nccc3[nH]c(-c4ccncc4)nc23)cc1
CHEMBL4170020 ChEMBL G5EB00 — 316.4 Da LogP 3.94 TPSA 73.8 ✓ Ro5 ✓ Clean Oc1ccccc1-c1nc2c(NCc3ccccc3)nccc2[nH]1
CHEMBL4176165 ChEMBL G5EB00 — 338.4 Da LogP 2.28 TPSA 91.2 ✓ Ro5 ✓ Clean CN1CCN(c2nccc3[nH]c(-c4ccc([N+](=O)[O-])cc4)nc2…
CHEMBL4177224 ChEMBL G5EB00 — 360.4 Da LogP 4.25 TPSA 72.1 ✓ Ro5 ✓ Clean COc1ccc(OC)c(-c2nc3c(NCc4ccccc4)nccc3[nH]2)c1

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.