Genome KpATCC43816

Protein target profile

alpha/beta hydrolase fold family protein

Accession: VK055_3735

Gene: AIK82290.1 3D evidence: AlphaFold DB model + ColabFold model Metabolism Not in network UniProt A0A0H3GWP4
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Length 319
Pocket druggability (P2Rank) 0.964
Functional annotation 0 EC 2 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 0.96, FPocket 0.98). 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 0.96. Review the complete evidence below

Risks to review

Human similarity Top human hit identity: 32.353%. This target also has a predicted binding pocket (P2Rank 0.96) — check the ligand evidence before deprioritizing on off-target risk alone. Microbiome similarity 121 of 4744 screened genomes (2.6%) have a significant similarity hit. This target also has a predicted binding pocket (P2Rank 0.96) — 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
Hit
Human identity (%)
32.353 Lower values reduce human off-target concern.
Human E-value
9.52e-15
Gut microbiome similarity
2.6% 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.

Structure confidence

ColabFold pLDDT
91.72 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) 0.964
Structure A0A0H3GWP4
Pocket Pocket 1
Druggability (FPocket) 0.984
Structure A0A0H3GWP4
Pocket Pocket 1
ColabFold model
P2Rank 0.968 · Pocket 1
FPocket 0.994 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 121 / 4744 genomes with a hit
Prevalence 2.6%

Cross-references

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

Sequence

UniProt A0A0H3GWP4

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.

MRGVGNRHLQTMLPRLIRRKLRFTPHWQRLELPDGDFVDLAWSEDPHQARHKPRLVVFHGLEGSLHSPYAHGLIHAAMQRGWLGVVMHFRGCSGEPNRNHRIYHSGETEDGTWFLHWLKREFGPAPTAAVGYSLGGNMLGCLLAEEGDRCPLDAAVIVSAPFMLEACSYHMDKGFSRVYQRYLLNLLKANASRKLKAYPGSLPVDLRQLKGMRRIREFDDMITAKIHGFADALDYYRQCSAMPRLSDITKPTLIIHAKDDPFMDHHSIPPQEQLPANVEYQLTEQGGHVGFVSGTLRKPEMWLERRIPDWLNRWLEVPV

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

2 GO

Subcellular localization

Localization
Cytoplasmic

Gene Ontology (GO)

2
  • GO:0047372 Catalysis of the reaction: a monoacylglycerol + H2O = a fatty acid + glycerol + H+.
  • GO:0034338 Catalysis of the reaction: a carboxylic ester + H2O = an alcohol + a carboxylic anion, where the carboxylic chain has 8 or fewer carbon atoms.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

12 records
Show feature table
Start End DB Term Name
219 260 ProSitePatterns PS01133 Uncharacterized protein family UPF0017 signature.
219 260 InterPro IPR000952 AB hydrolase 4, conserved site
6 313 PANTHER PTHR10794 ABHYDROLASE DOMAIN-CONTAINING PROTEIN
2 317 PIRSF PIRSF005211 Ab_hydro_YheT
2 317 InterPro IPR012020 AB hydrolase 4 family
34 310 FunFam G3DSA:3.40.50.1820:FF:000080 Alpha/beta hydrolase
53 293 Pfam PF00561 alpha/beta hydrolase fold
53 293 InterPro IPR000073 Alpha/beta hydrolase fold-1
17 312 SUPERFAMILY SSF53474 alpha/beta-Hydrolases
17 312 InterPro IPR029058 Alpha/Beta hydrolase fold
34 317 Gene3D G3DSA:3.40.50.1820 alpha/beta hydrolase
34 317 InterPro IPR029058 Alpha/Beta hydrolase fold

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.

Download VMD script Full viewer

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Drag to rotate — click the view, then scroll to zoom.

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

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

Pocket 1 P2Rank #1
0.964
Likely same site as FPocket 1 4.5 Å 29 shared residues 81% of smaller site
Show in viewer
Surrounding area
Pocket 2 P2Rank #2
0.102
Show in viewer
Surrounding area

Binding pockets · FPocket

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

Pocket 1 FPocket #1
0.984
Likely same site as P2Rank 1 4.5 Å 29 shared residues 81% of smaller site
Show in viewer
Surrounding area
Pocket 2 FPocket #16
0.835
Likely same site as P2Rank 1 8.0 Å 13 shared residues 100% of smaller site
Show in viewer
Surrounding area
Residue sets
UniProt: Active site:133-133 Charge relay system
UniProt: Active site:260-260 Charge relay system
UniProt: Active site:288-288 Charge relay system
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_A0A0H3GWP4
AlphaFold DB — — full sequence — Viewing
ColabFold VK055_3735
ColabFold — — full sequence — Loaded