KpATCC43816 Protein target profile

wzyE family protein

Accession: VK055_3181

Gene: AIK81749.1 3D evidence: AlphaFold DB model + ColabFold model Metabolism Not in network UniProt A0A0H3GPV0
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Length 448
Pocket druggability (P2Rank · AlphaFold DB model) 0.746
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: P2Rank + FPocket Both predictors report a high-scoring binding site (P2Rank 0.75, FPocket 0.86). 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 0.86. This is a computational pocket signal, not binding validation. Review the complete evidence below

Risks to review

Microbiome similarity 112 of 4744 screened genomes (2.4%) have a significant similarity hit. This target also has a predicted binding pocket (P2Rank 0.75) — 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
2.4% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG)
Y
DEG identity (%)
87.054 Higher values support similarity to known essential genes.
DEG E-value
0.0 Smaller values mean stronger essential-gene similarity.

Structure confidence

ColabFold pLDDT
82.1 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) 0.746
Structure A0A0H3GPV0
Pocket Pocket 1
Druggability (FPocket) 0.862
Structure A0A0H3GPV0
Pocket Pocket 13
ColabFold model
P2Rank 0.946 · Pocket 1
FPocket 0.938 · Pocket 28
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 112 / 4744 genomes with a hit
Prevalence 2.4%

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.

MTLMQFSGLLVVWLLSTLFIATATWFEFRRVRFNFNVFFSLLFLLTFFFGFPLTSILVFRFDVSVAPPEILLQTLLIAVCFYAVYYVTYKTRLRSASREVAHRPLFTMNRVETHLAWGILMGLALLCVGIFFAHNGFLLFKLNSYSQIFSAEVSGVALKRFFYFFIPAMLVVYFLRQDYKAWIFFLVSTVAFGLLTYAIVGGTRANIIIAFAIFLFIGIIRGWISLWMLAAAGVLGIVGMFWLALKRYGMNVSGDEAFYTFLYLTRDTFSPWENLALLLQNYDKIDFQGLAPMIRDFYVFIPSWMWHGRPTMVLNTANYFTWEVLNNHSGLAISPTLIGSLVVMGGVWFVPLGAVAVGLIIKWFDWLYELGNRESNRYKAAILHSFCFGAIFNMIVLAREGLDSFGSRVVFFLVIFGICLLAAKLLYWFLDSVGLIHKRVKPLSQPQV

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

3 GO

Subcellular localization

Localization
CytoplasmicMembrane

Gene Ontology (GO)

3
  • GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
  • GO:0009246 The chemical reactions and pathways resulting in the formation of the enterobacterial common antigen, an acidic polysaccharide containing N-acetyl-D-glucosamine, N-acetyl-D-mannosaminouronic acid, and 4-acetamido-4,6-dideoxy-D-galactose. A major component of the cell wall outer membrane of Gram-negative bacteria.
  • 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.

38 records
Show feature table
Start End DB Term Name
410 430 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
138 156 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
70 88 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
362 380 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
205 220 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
246 336 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
38 58 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
1 441 Pfam PF06899 WzyE protein, O-antigen assembly polymerase
1 441 InterPro IPR010691 Probable ECA polymerase WzyE
6 26 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
182 199 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
182 201 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
431 448 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
408 430 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
227 245 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
1 448 Hamap MF_01003 Probable ECA polymerase [wzyE].
1 448 InterPro IPR010691 Probable ECA polymerase WzyE
70 89 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
338 360 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
176 181 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
381 398 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
115 137 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
116 138 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
381 398 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
200 204 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
4 26 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
157 175 Phobius TRANSMEMBRANE Region of a membrane-bound protein predicted to be embedded in the membrane.
221 226 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
153 175 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
399 409 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
33 55 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
27 37 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
226 245 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
1 5 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
205 224 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
89 114 Phobius CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
59 69 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
337 361 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 · P2Rank

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

Pocket 1 P2Rank #1
0.746
Likely same site as FPocket 32 4.3 Å 11 shared residues 85% of smaller site
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Surrounding area
Pocket 2 P2Rank #2
0.528
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Surrounding area
Pocket 3 P2Rank #3
0.265
Likely same site as FPocket 13 1.5 Å 13 shared residues 100% of smaller site
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Surrounding area
Pocket 4 P2Rank #4
0.257
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Surrounding area
Pocket 5 P2Rank #5
0.214
Likely same site as FPocket 18 1.6 Å 9 shared residues 69% 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 #13
0.862
Likely same site as P2Rank 3 1.5 Å 13 shared residues 100% of smaller site
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Surrounding area
Pocket 2 FPocket #32
0.297
Likely same site as P2Rank 1 4.3 Å 11 shared residues 85% of smaller site
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Surrounding area
Pocket 3 FPocket #18
0.226
Likely same site as P2Rank 5 1.6 Å 9 shared residues 69% of smaller site
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Surrounding area
Pocket 4 FPocket #12
0.219
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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_A0A0H3GPV0
AlphaFold DB — — full sequence — Viewing
ColabFold VK055_3181
ColabFold — — full sequence — Loaded

Cross-references

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

Sequence

UniProt A0A0H3GPV0