KpATCC43816 Protein target profile

thiamine/thiamine pyrophosphate ABC transporter,permease protein

Accession: VK055_2507

Gene: thiP AIK81104.1 3D evidence: AlphaFold DB model + ColabFold model Metabolism Not in network UniProt A0A0H3GJ62
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Length 523
Pocket druggability (P2Rank · AlphaFold DB model) 0.905
Functional annotation 0 EC 5 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. Second pocket predictor agrees P2Rank predicted binding-site probability 0.91. Structure available AlphaFold DB model + ColabFold model

Risks to review

Microbiome similarity 110 of 4744 screened genomes (2.3%) have a significant similarity hit. This target also has a predicted binding pocket (P2Rank 0.91) — check the ligand evidence before deprioritizing on off-target risk alone. Mixed conservation Core/accessory calls are not fully concordant. Best pocket may be a modeling artifact FPocket selected-pocket score 0.73, but this pocket's geometry is unusually large/diffuse compared to this protein's other predicted pockets — may reflect a low-confidence or disordered model region rather than a real cavity.

Evidence gaps

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
2.3% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG)
Y
DEG identity (%)
43.725 Higher values support similarity to known essential genes.
DEG E-value
4.7e-123 Smaller values mean stronger essential-gene similarity.

Structure confidence

ColabFold pLDDT
89.15 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) 0.905
Structure A0A0H3GJ62
Pocket Pocket 1
Druggability (FPocket) 0.732
Structure A0A0H3GJ62
Pocket Pocket 4
ColabFold model
P2Rank 0.894 · Pocket 1
FPocket 0.894 · Pocket 1
Core conservation Accessory gene
Roary core
CoreCruncher accessory
Gut microbiome 110 / 4744 genomes with a hit
Prevalence 2.3%

Metabolic context

Reactions catalyzed, pathway membership, and centrality in the genome-scale metabolic network.

This protein is not associated with the imported metabolic network for this genome.

Browse the genome's metabolic network

Imported from KpATCC43816.sbml · 2026-07-09

Sequence

Primary amino-acid sequence viewer.

MPGLFAATLLCAVALAAFLALWFSAPGAGWQSVFSDSYLWHVVRFSFWQASLSALISVGPAIFLARALYRRRFPGRTLLLRLCAMTLILPVLVAVFGILSVYGHQGWLASLFHALGWQWEFSPYGLQGILLAHVFFNMPMATRLLLQALENIPGEQRQIAAQLGMRGYAFFRLVEWPWLRRHIPAVAALIFMLCFASFATVLSLGGGPKATTIELAIYQALSFDYDPARAAMLALIQMLCCLGLVLLSQRLSKAVAIGVSHVRGWRDPDDRLHSRLSDGLLIGAALLLLLPPLLAVIVDGINRNMLDVLAQPALWQALSTSLRIAIAAGLLSVTLTMMLLWSSRELRARQRPLAGQAMELSGMLILAMPGIVLATGFFLLLNNTIGLPESADGIVIFTNALMAIPYALKVLENPMRDIAARYSMLCQSLGIEGFARLRVVELRALRRPLAQALAFACVLSIGDFGVVALFGNEAFRTLPFYLYQQIGAYRSQDGAVTALLLLLLCFLLFTLIEKLPGRDAKTQ

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

5 GO

Subcellular localization

Localization
CytoplasmicMembrane

Gene Ontology (GO)

5
  • 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:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
  • GO:0015888 The directed movement of thiamine into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore. Thiamine is vitamin B1, a water soluble vitamin present in fresh vegetables and meats, especially liver.
  • 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.

62 records
Show feature table
Start End DB Term Name
228 247 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
394 411 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
382 392 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
45 66 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
124 146 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
412 451 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
185 207 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
279 301 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
362 381 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
39 248 ProSiteProfiles PS50928 ABC transporter integral membrane type-1 domain profile.
39 248 InterPro IPR000515 ABC transporter type 1, transmembrane domain MetI-like
2 512 NCBIfam TIGR01253 thiamine/thiamine pyrophosphate ABC transporter permease
2 512 InterPro IPR005947 Thiamine ABC transporter, permease protein
208 226 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
513 523 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
302 320 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
24 35 Phobius SIGNAL_PEPTIDE_C_REGION C-terminal region of a signal peptide.
186 208 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
342 361 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
279 514 SUPERFAMILY SSF161098 MetI-like
279 514 InterPro IPR035906 MetI-like superfamily
1 35 Phobius SIGNAL_PEPTIDE Signal peptide region
78 104 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
321 343 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
360 379 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
44 242 CDD cd06261 TM_PBP2
44 242 InterPro IPR000515 ABC transporter type 1, transmembrane domain MetI-like
67 77 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
105 123 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
227 247 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
147 184 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
78 100 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
1 256 FunFam G3DSA:1.10.3720.10:FF:000044 Thiamine/thiamine pyrophosphate ABC transporter permease ThiP
280 301 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
61 255 Pfam PF00528 Binding-protein-dependent transport system inner membrane component
61 255 InterPro IPR000515 ABC transporter type 1, transmembrane domain MetI-like
476 494 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
6 252 SUPERFAMILY SSF161098 MetI-like
6 252 InterPro IPR035906 MetI-like superfamily
3 515 PANTHER PTHR30183 MOLYBDENUM TRANSPORT SYSTEM PERMEASE PROTEIN MODB
495 512 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
3 258 Gene3D G3DSA:1.10.3720.10 -
3 258 InterPro IPR035906 MetI-like superfamily
280 516 Gene3D G3DSA:1.10.3720.10 -
280 516 InterPro IPR035906 MetI-like superfamily
5 27 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
393 411 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
248 279 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
318 498 CDD cd06261 TM_PBP2
318 498 InterPro IPR000515 ABC transporter type 1, transmembrane domain MetI-like
318 512 ProSiteProfiles PS50928 ABC transporter integral membrane type-1 domain profile.
318 512 InterPro IPR000515 ABC transporter type 1, transmembrane domain MetI-like
4 23 Phobius SIGNAL_PEPTIDE_H_REGION Hydrophobic region of a signal peptide.
1 3 Phobius SIGNAL_PEPTIDE_N_REGION N-terminal region of a signal peptide.
47 69 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
453 475 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
276 518 FunFam G3DSA:1.10.3720.10:FF:000048 Thiamine/thiamine pyrophosphate ABC transporter permease ThiP
452 475 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
321 341 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
495 512 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.
36 44 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

Druggability (P2Rank): high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Pocket 1 P2Rank #1
0.905
Likely same site as FPocket 4 5.9 Å 10 shared residues 62% of smaller site
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Surrounding area
Pocket 2 P2Rank #2
0.324
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Surrounding area
Pocket 3 P2Rank #3
0.273
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Surrounding area
Pocket 4 P2Rank #4
0.062
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Surrounding area
Pocket 5 P2Rank #5
0.043
Likely same site as FPocket 25 5.7 Å 8 shared residues 89% of smaller site
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Surrounding area

Binding pockets · FPocket

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

Pocket 1 FPocket #4
0.732 Unusual size
Likely same site as P2Rank 1 5.9 Å 10 shared residues 62% of smaller site
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Surrounding area
Pocket 2 FPocket #18
0.288
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Surrounding area
Pocket 3 FPocket #1
0.242
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Surrounding area
Pocket 4 FPocket #25
0.204
Likely same site as P2Rank 5 5.7 Å 8 shared residues 89% 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_A0A0H3GJ62
AlphaFold DB — — full sequence — Viewing
ColabFold VK055_2507
ColabFold — — full sequence — Loaded

Cross-references

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

Sequence

UniProt A0A0H3GJ62