Protein target profile

KP13_05233

Purine ribonucleoside efflux pump nepI

Genome: KpKP13 Gene: AHE44640.1 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A0H3GTB8
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Length 385
Pocket druggability 0.992
Functional annotation 0 EC 3 GO
Target summary

Promising target candidate with multiple supporting evidence streams.

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

Main supporting evidence

Independent pocket support: FPocket + P2Rank Both predictors report a high-scoring binding site (FPocket 0.99, P2Rank 0.98). 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. Strong predicted binding pocket FPocket selected-pocket score 0.99. This is a computational pocket signal, not binding validation. Second pocket predictor agrees P2Rank predicted binding-site probability 0.98. Review the complete evidence below

Risks to review

Microbiome similarity 51 of 4744 screened genomes (1.1%) have a significant similarity hit. This target also has a predicted binding pocket (FPocket 0.99) — check the ligand evidence before deprioritizing on off-target risk alone. Mixed conservation Core/accessory calls are not fully concordant.

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
1.1% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG)
N
DEG identity (%)
0.0 Higher values support similarity to known essential genes.

Localization

Localization
CytoplasmicMembrane

Structure confidence

ColabFold pLDDT
91.67 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 0.992
Structure A0A0H3GTB8
Pocket Pocket 15
P2Rank 0.981
Structure A0A0H3GTB8
Pocket Pocket 1
ColabFold model
FPocket 0.879 · Pocket 21
P2Rank 0.968 · Pocket 1
Core conservation Accessory gene
Roary core
CoreCruncher accessory
Gut microbiome 51 / 4744 genomes with a hit
Prevalence 1.1%

Cross-references

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

Sequence

UniProt A0A0H3GTB8

Sequence

Primary amino-acid sequence viewer.

MFGLIVAEFLPASLLTPMASSLGVSEGMAGQAVTATALVALVTGLLIATATRNIDRRWVLMFFSVLQIVSSLMVAFADSLAFLLLGRLLLGIAIGGFWAMSTATAMRLVPAAHVPKALAIIFSAVSVATVVAAPLGSYLGELIGWRNVFILCAIPSLLALLWQLWVLPSMRPESVGTFSTLFRVLRRPGMLGGMLATILIFSGHFAFFTYLRPFLETVAQASVEGVSLILLGFGIANFIGTSVASYLLSRSLRLTLALVPLMMSVLALLMVTFGHLTVLAGLLVALWGFAFGLVPVAWSTWLATTVPDEAESAGGLLVASIQLAISAGAAGGGAVFDLHGASGVFTGSGLLLLSAMVIVFAAVRVKPVARADQPVTGRLSREIDN

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

3 GO

Gene Ontology (GO)

3
  • 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: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.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

48 records
Show feature table
Start End DB Term Name
168 187 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
58 76 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
1 366 ProSiteProfiles PS50850 Major facilitator superfamily (MFS) profile.
1 366 InterPro IPR020846 Major facilitator superfamily domain
255 273 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
364 385 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
82 105 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
1 3 Phobius SIGNAL_PEPTIDE_N_REGION N-terminal region of a signal peptide.
77 81 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
7 316 Pfam PF07690 Major Facilitator Superfamily
7 316 InterPro IPR011701 Major facilitator superfamily
24 32 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
342 363 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
304 314 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
341 363 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
188 210 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
188 208 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
2 360 CDD cd17324 MFS_NepI_like
228 248 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
106 116 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
314 336 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
137 147 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
315 336 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
279 303 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
274 278 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
148 167 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
118 140 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
337 341 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
52 57 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
249 254 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
254 276 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
89 111 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
145 167 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
1 23 Phobius SIGNAL_PEPTIDE Signal peptide region
7 365 SUPERFAMILY SSF103473 MFS general substrate transporter
7 365 InterPro IPR036259 MFS transporter superfamily
225 247 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
62 84 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
33 51 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
1 367 PANTHER PTHR43124 PURINE EFFLUX PUMP PBUE
117 136 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
1 363 Gene3D G3DSA:1.20.1250.20 MFS general substrate transporter like domains
1 363 InterPro IPR036259 MFS transporter superfamily
27 49 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
280 302 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
16 23 Phobius SIGNAL_PEPTIDE_C_REGION C-terminal region of a signal peptide.
4 15 Phobius SIGNAL_PEPTIDE_H_REGION Hydrophobic region of a signal peptide.
209 227 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 · FPocket

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

Site 1 FPocket #15
0.992
Likely same site as P2Rank 1 5.6 Å 22 shared residues 96% of smaller site
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Surrounding area
Site 2 FPocket #7
0.326
Likely same site as P2Rank 5 4.4 Å 9 shared residues 90% of smaller site
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Surrounding area

Binding pockets · P2Rank

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

Site 1 P2Rank #1
0.981
Likely same site as FPocket 15 5.6 Å 22 shared residues 96% of smaller site
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Surrounding area
Site 2 P2Rank #2
0.206
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Surrounding area
Site 3 P2Rank #3
0.022
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Surrounding area
Site 4 P2Rank #4
0.018
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Surrounding area
Site 5 P2Rank #5
0.017
Likely same site as FPocket 7 4.4 Å 9 shared residues 90% of smaller site
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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_A0A0H3GTB8
AlphaFold DB — — full sequence — Viewing
ColabFold KP13_05233
ColabFold — — full sequence — Loaded