KpATCC43816 Protein target profile

phosphotransferase system, EIIC family protein

Accession: VK055_3422

Gene: AIK81979.1 3D evidence: AlphaFold DB model + ColabFold model Metabolism Not in network UniProt A0A0H3H0B2
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Length 477
Pocket druggability (P2Rank · AlphaFold DB model) 0.94
Functional annotation 1 EC 6 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: P2Rank + FPocket Both predictors report a high-scoring binding site (P2Rank 0.94, FPocket 0.79). 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 0.79. This is a computational pocket signal, not binding validation. Review the complete evidence below

Risks to review

Microbiome similarity 58 of 4744 screened genomes (1.2%) have a significant similarity hit. This target also has a predicted binding pocket (P2Rank 0.94) — check the ligand evidence before deprioritizing on off-target risk alone.

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
1.2% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG)
Y
DEG identity (%)
40.546 Higher values support similarity to known essential genes.
DEG E-value
3.76e-99 Smaller values mean stronger essential-gene similarity.

Structure confidence

ColabFold pLDDT
85.73 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) 0.94
Structure A0A0H3H0B2
Pocket Pocket 1
Druggability (FPocket) 0.791
Structure A0A0H3H0B2
Pocket Pocket 6
ColabFold model
P2Rank 0.925 · Pocket 1
FPocket 0.707 · Pocket 2
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 58 / 4744 genomes with a hit
Prevalence 1.2%

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.

MAKITKEMIARILAHVGGAANVAQAGNCMTRLRLTLRDESLADSAAIRQIDGVMGVIVSDEQFQVVLGPGKAQTAAEMMNGLLEAAPAAAPTLADVAAEKKQALKGRQTSAVQKFLAKFATIFTPLIPGFIAVGLLLGFATLAEQVFVLENAHPNTSLVALIGYMKVFSKGMFTFLSILIGYNAQKAFGGSGVNGAIIASLFVLGYNPEATSGFYAGISTFFGHGIDPRGNIIGVLIAAILGAWVERQVRRVMPANLDMILTSAVTLLIMGAVTFTVIMPIGGWLFTGMSWLFLHLNGNPFGSAVLAGLFLLAVMFGVHQGFVPVYFALVDAQGFNSLFPILAMAGAGQVGAALALFWRAKRDSLLRTQIKGAIIPGFLGIGEPLIYGVTLPRMKPFVTACLGGACGGFFVGLIAWLGLPVGLNTVFGPSGLVALPLMTSGSGIYAGMAVYAGGLAVSYLCGFVLTWLFGSKNVDLS

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 6 GO

Subcellular localization

Localization
CytoplasmicMembrane

Enzyme Commission (EC)

1

Gene Ontology (GO)

6
  • GO:0009401 The uptake and phosphorylation of specific carbohydrates from the extracellular environment; uptake and phosphorylation are coupled, making the PTS a link between the uptake and metabolism of sugars; phosphoenolpyruvate is the original phosphate donor; phosphoenolpyruvate passes the phosphate via a signal transduction pathway, to enzyme 1 (E1), which in turn passes it on to the histidine protein, HPr; the next step in the system involves sugar-specific membrane-bound complex, enzyme 2 (EII), which transports the sugar into the cell; it includes the sugar permease, which catalyzes the transport reactions; EII is usually divided into three different domains, EIIA, EIIB, and EIIC.
  • GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
  • GO:0008982 Catalysis of the PEP-dependent, phosphoryl transfer-driven transport of substances across a membrane. The transport happens by catalysis of the reaction: protein N-phosphohistidine + sugar(out) = protein histidine + sugar phosphate(in). This differs from primary and secondary active transport in that the solute is modified during transport.
  • 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:0016301 Catalysis of the transfer of a phosphate group, usually from ATP, to a substrate molecule.
  • GO:0090588 Catalysis of the PEP-dependent, phosphoryl transfer-driven transport of substances across a membrane. The transport happens by catalysis of the reaction: protein S-phosphocysteine + N-acetylmuramate (out) = protein cysteine + N-acetylmuramate-6-phosphate (in).

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

49 records
Show feature table
Start End DB Term Name
187 206 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
370 390 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
4 84 Gene3D G3DSA:3.30.1360.60 Glucose permease domain IIB
4 84 InterPro IPR036878 Glucose permease domain IIB
338 358 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
246 256 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
336 358 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
301 326 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
158 180 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
115 138 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
4 82 FunFam G3DSA:3.30.1360.60:FF:000001 PTS system glucose-specific IIBC component PtsG
448 470 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
122 404 Pfam PF02378 Phosphotransferase system, EIIC
122 404 InterPro IPR003352 Phosphotransferase system, EIIC
139 157 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
226 245 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
373 390 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
397 419 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
181 186 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
265 287 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
121 143 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
359 369 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
187 206 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
6 83 CDD cd00212 PTS_IIB_glc
6 83 InterPro IPR018113 Phosphotransferase system EIIB, cysteine phosphorylation site
21 38 ProSitePatterns PS01035 PTS EIIB domains cysteine phosphorylation site signature.
21 38 InterPro IPR018113 Phosphotransferase system EIIB, cysteine phosphorylation site
424 442 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
307 329 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
226 245 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
1 114 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
158 180 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
8 80 SUPERFAMILY SSF55604 Glucose permease domain IIB
8 80 InterPro IPR036878 Glucose permease domain IIB
397 423 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
6 89 ProSiteProfiles PS51098 PTS_EIIB type-1 domain profile.
6 89 InterPro IPR001996 Phosphotransferase system, IIB component, type 1
11 43 Pfam PF00367 phosphotransferase system, EIIB
11 43 InterPro IPR018113 Phosphotransferase system EIIB, cysteine phosphorylation site
443 469 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
282 300 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
257 281 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
117 477 ProSiteProfiles PS51103 PTS_EIIC type-1 domain profile.
117 477 InterPro IPR013013 Phosphotransferase system, EIIC component, type 1
5 471 PANTHER PTHR30175 PHOSPHOTRANSFERASE SYSTEM TRANSPORT PROTEIN
207 225 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
327 337 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
470 477 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
391 396 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.

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
0.94
Likely same site as FPocket 23 1.3 Å 28 shared residues 97% of smaller site
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Surrounding area
Pocket 2 P2Rank #2
0.396
Likely same site as FPocket 6 0.8 Å 12 shared residues 100% of smaller site
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Surrounding area
Pocket 3 P2Rank #3
0.083
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Surrounding area
Pocket 4 P2Rank #4
0.074
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Surrounding area
Pocket 5 P2Rank #5
0.036
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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 #6
0.791
Likely same site as P2Rank 2 0.8 Å 12 shared residues 100% of smaller site
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Surrounding area
Pocket 2 FPocket #23
0.502 Unusual size
Likely same site as P2Rank 1 1.3 Å 28 shared residues 97% of smaller site
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Surrounding area
Pocket 3 FPocket #14
0.442
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Surrounding area
Residue sets
UniProt: Active site:28-28 Phosphocysteine intermediate; for EIIB activity
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_A0A0H3H0B2
AlphaFold DB — — full sequence — Viewing
ColabFold VK055_3422
ColabFold — — full sequence — Loaded

Cross-references

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

Sequence

UniProt A0A0H3H0B2