Protein target profile

KP13_04739

putative sugar efflux transporter

Genome: KpKP13 Gene: sotB AHE45086.1 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A0H3GRF2
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Length 405
Pocket druggability 0.994
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 0.99). 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 0.99. This is a computational pocket signal, not binding validation. Review the complete evidence below

Risks to review

Microbiome similarity 8 of 4744 screened genomes (0.2%) 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.

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
0.2% 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
88.91 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 0.994
Structure A0A0H3GRF2
Pocket Pocket 13
P2Rank 0.987
Structure A0A0H3GRF2
Pocket Pocket 1
ColabFold model
FPocket 0.995 · Pocket 1
P2Rank 0.989 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 8 / 4744 genomes with a hit
Prevalence 0.2%

Cross-references

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

Sequence

UniProt A0A0H3GRF2

Sequence

Primary amino-acid sequence viewer.

MKEIALPLHPAPARVWIAVVALGICAFSIVTSELAPVGMLSALAADFHQTESGVGLAVTAYGWVGALAALLSGAMPARISRKALLVGLMLILAFSCLAATRSYSMFALMSARMIGALAHGAFWALIGIVAAQLVPPHRLGLATAIIFGGVSAASVVGVPLASFIATLAGWRPAFMSMALLSLAAAAVLCSTLPPLAAPAPVRLRVYRDIFRNPLLGGLYGATACIITAHFAAFTYIEPLLINLQGVPATALSGLLLLSGVSGLLGNVIAGKLIDRHLKGLIFAALLLSGGALALLGAARLAPLPFCFSGLLLALWGAGIAIVFVGLQTWLLRSAGAVAQPASAIYVAIFNAAIGTGAFVGGQLIASAGLSEMVWLAAGIMVGSTLLIALLKAPLPGQIGAATAGA

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.

47 records
Show feature table
Start End DB Term Name
19 388 CDD cd17324 MFS_NepI_like
168 172 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
343 366 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
280 301 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
13 35 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
16 392 PANTHER PTHR43124 PURINE EFFLUX PUMP PBUE
372 390 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
72 82 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
12 392 Gene3D G3DSA:1.20.1250.20 MFS general substrate transporter like domains
12 392 InterPro IPR036259 MFS transporter superfamily
24 335 Pfam PF07690 Major Facilitator Superfamily
24 335 InterPro IPR011701 Major facilitator superfamily
8 391 SUPERFAMILY SSF103473 MFS general substrate transporter
8 391 InterPro IPR036259 MFS transporter superfamily
372 394 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
12 32 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
312 331 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
141 167 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
135 140 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
194 213 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
367 371 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
55 77 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
269 279 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
52 71 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
142 164 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
173 193 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
214 236 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
102 112 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
246 268 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
16 395 ProSiteProfiles PS50850 Major facilitator superfamily (MFS) profile.
16 395 InterPro IPR020846 Major facilitator superfamily domain
113 135 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
344 366 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
214 236 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.
391 405 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
113 134 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
332 342 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
33 51 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
237 247 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
248 268 Phobius TRANSMEMBRANE 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.
302 306 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
84 103 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
179 201 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
83 101 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
307 331 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.

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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 #13
0.994
Likely same site as P2Rank 1 1.2 Å 38 shared residues 100% of smaller site
Unusual size
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Surrounding area
Site 2 FPocket #17
0.87
Likely same site as P2Rank 2 2.0 Å 16 shared residues 100% of smaller site
Unusual size
Show in viewer
Surrounding area

Binding pockets · P2Rank

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

Site 1 P2Rank #1
0.987
Likely same site as FPocket 13 1.2 Å 38 shared residues 100% of smaller site
Show in viewer
Surrounding area
Site 2 P2Rank #2
0.201
Likely same site as FPocket 17 2.0 Å 16 shared residues 100% of smaller site
Show in viewer
Surrounding area
Site 3 P2Rank #3
0.128
Show in viewer
Surrounding area
Site 4 P2Rank #4
0.042
Show in viewer
Surrounding area
Site 5 P2Rank #5
0.022
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_A0A0H3GRF2
AlphaFold DB — — full sequence — Viewing
ColabFold KP13_04739
ColabFold — — full sequence — Loaded