Protein target profile

KP13_03559

hypothetical protein

Genome: KpKP13 Gene: AHE43365.1 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A0H3GRD0
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Length 346
Pocket druggability 0.983
Functional annotation 0 EC 1 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 0.98, P2Rank 0.88). Use the 3D pocket comparison to verify whether they identify the same site. Core gene across strains Marked as conserved by both pan-genome tools: Roary and CoreCruncher. Strong predicted binding pocket FPocket selected-pocket score 0.98. This is a computational pocket signal, not binding validation. Second pocket predictor agrees P2Rank predicted binding-site probability 0.88. Review the complete evidence below

Risks to review

Low human similarity A human hit was flagged, but identity is only 27.465% - a weak match, lower risk than a close homolog. This target also has a predicted binding pocket (FPocket 0.98) — check the ligand evidence before deprioritizing on off-target risk alone. Microbiome similarity 144 of 4744 screened genomes (3.0%) have a significant similarity hit. This target also has a predicted binding pocket (FPocket 0.98) — 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
Hit
Human identity (%)
27.465 Lower values reduce human off-target concern.
Human E-value
9.99e-30
Gut microbiome similarity
3.0% 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
84.28 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 0.983
Structure A0A0H3GRD0
Pocket Pocket 16
P2Rank 0.883
Structure A0A0H3GRD0
Pocket Pocket 1
ColabFold model
FPocket 0.528 · Pocket 26
P2Rank 0.854 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 144 / 4744 genomes with a hit
Prevalence 3.0%

Cross-references

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

Sequence

UniProt A0A0H3GRD0

Sequence

Primary amino-acid sequence viewer.

MKKSTIAHLFSGAFMKLFRILDPFTATLITVVLLASFFPARGAFVPFFEHLTTAAIALLFFMHGAKLSREAIIAGGSHWRLHLWVMCSTFILFPLLGVLFAWWAPVNVDPMLYSGFIYLCILPATVQSAIAFTSLAGGNVAAAVCSASASSLLGIFVSPLLVGVLMNLHGAGGSLEQVGKIMLQLLLPFVLGHLSRPWIGDWVAKHKKWIGKTDQTSILLVVYSAFSEAVVNGIWHKVGLGSLLFIVVVSLVLLAIVIAVNVFVARRCGFNKADEITIVFCGSKKSLANGIPMANILFPTSILGIMVLPLMIFHQIQLMVCAVLARRYKQQTDARLAEEKANAAKA

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 GO

Gene Ontology (GO)

1
  • 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.

39 records
Show feature table
Start End DB Term Name
1 19 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
167 177 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
83 105 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
276 296 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
43 62 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
44 62 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
178 195 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
20 38 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
106 110 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
12 346 PIRSF PIRSF026166 UCP026166
12 346 InterPro IPR016833 Putative sodium bile acid cotransporter
39 43 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
19 335 Gene3D G3DSA:1.20.1530.20 -
19 335 InterPro IPR038770 Sodium/solute symporter superfamily
216 235 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
196 215 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
63 82 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
17 39 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
297 301 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
286 308 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
217 239 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
236 240 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
181 200 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
111 133 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
144 166 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
83 105 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
241 264 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
22 329 Pfam PF13593 SBF-like CPA transporter family (DUF4137)
22 329 InterPro IPR016833 Putative sodium bile acid cotransporter
134 139 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
140 166 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
302 325 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
115 137 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
265 275 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
22 335 PANTHER PTHR18640 SOLUTE CARRIER FAMILY 10 MEMBER 7
22 335 InterPro IPR016833 Putative sodium bile acid cotransporter
20 336 FunFam G3DSA:1.20.1530.20:FF:000005 Transporter, bile acid/Na+ symporter family
326 346 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
243 265 TMHMM TMhelix 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 #16
0.983
Likely same site as P2Rank 3 2.1 Å 12 shared residues 100% of smaller site
Unusual size
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Surrounding area
Site 2 FPocket #25
0.231
Likely same site as P2Rank 5 2.8 Å 13 shared residues 100% 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
0.883
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Surrounding area
Site 2 P2Rank #2
0.547
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Surrounding area
Site 3 P2Rank #3
0.154
Likely same site as FPocket 16 2.1 Å 12 shared residues 100% of smaller site
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Surrounding area
Site 4 P2Rank #4
0.143
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Surrounding area
Site 5 P2Rank #5
0.139
Likely same site as FPocket 25 2.8 Å 13 shared residues 100% of smaller site
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_A0A0H3GRD0
AlphaFold DB — — full sequence — Viewing
ColabFold KP13_03559
ColabFold — — full sequence — Loaded