KpATCC43816 Protein target profile

acylphosphatase

Accession: VK055_1487

Gene: acyP AIK80108.1 3D evidence: AlphaFold DB model + ColabFold model Metabolism 1 reaction UniProt A0A0H3GL55
Length 93
Pocket druggability (P2Rank · AlphaFold DB model) 0.028
Metabolic reactions 1
Chokepoint No
Direct ligand evidence 0 1 total records
Functional annotation 1 EC 1 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.

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 (%)
35.385 Lower values reduce human off-target concern.
Human E-value
2.51e-08
Gut microbiome similarity
1.9% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG)
Y
DEG identity (%)
68.132 Higher values support similarity to known essential genes.
DEG E-value
5.72e-44 Smaller values mean stronger essential-gene similarity.

Structure confidence

ColabFold pLDDT
92.6 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) 0.028
Structure A0A0H3GL55
Pocket Pocket 1
Druggability (FPocket) 0.096
Structure A0A0H3GL55
Pocket Pocket 1
ColabFold model
P2Rank 0.067 · Pocket 1
FPocket 0.366 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 92 / 4744 genomes with a hit
Prevalence 1.9%

Metabolic context

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

Explore metabolic network
Relative network centrality 0.0% more central than 0.0% of genes in this genome
Chokepoint Not a chokepoint
Pathways

No specific KEGG pathway assigned - this reaction either has no KEGG mapping, or only matches a generic overview map with no route-level information.

Catalyzed reaction

1 reaction mapped to this gene in the metabolic model. Open the full network to see each one, with substrates/products and the reaction-reaction map.

Imported from KpATCC43816.sbml · 2026-07-09

Sequence

Primary amino-acid sequence viewer.

MASICTMAWVYGSVQGVGFRYSTQREAMQLGVTGYARNLDDGGVEVLACGEAEQVEKLIAWLKAGGPRSARVDRVLTEPHQPTRSWDKFAILY

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 1 GO

Subcellular localization

Localization
Cytoplasmic

Enzyme Commission (EC)

1

Gene Ontology (GO)

1
  • GO:0003998 Catalysis of the reaction: an acyl phosphate + H2O = a carboxylate + phosphate.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

22 records
Show feature table
Start End DB Term Name
8 91 PANTHER PTHR47268 ACYLPHOSPHATASE
8 91 InterPro IPR020456 Acylphosphatase
2 91 Gene3D G3DSA:3.30.70.100 -
4 92 SUPERFAMILY SSF54975 Acylphosphatase/BLUF domain-like
4 92 InterPro IPR036046 Acylphosphatase-like domain superfamily
2 92 Hamap MF_01450 Acylphosphatase [yccX].
2 92 InterPro IPR028627 Acylphosphatase, bacteria
10 20 ProSitePatterns PS00150 Acylphosphatase signature 1.
10 20 InterPro IPR017968 Acylphosphatase, conserved site
8 91 Pfam PF00708 Acylphosphatase
8 91 InterPro IPR001792 Acylphosphatase-like domain
1 92 FunFam G3DSA:3.30.70.100:FF:000012 Acylphosphatase
5 20 PRINTS PR00112 Acylphosphatase signature
5 20 InterPro IPR020456 Acylphosphatase
61 81 PRINTS PR00112 Acylphosphatase signature
61 81 InterPro IPR020456 Acylphosphatase
26 51 PRINTS PR00112 Acylphosphatase signature
26 51 InterPro IPR020456 Acylphosphatase
5 93 ProSiteProfiles PS51160 Acylphosphatase-like domain profile.
5 93 InterPro IPR001792 Acylphosphatase-like domain
34 50 ProSitePatterns PS00151 Acylphosphatase signature 2.
34 50 InterPro IPR017968 Acylphosphatase, conserved site

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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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
0.028
Show in viewer
Surrounding area
Pocket 2 P2Rank #2
0.004
Show in viewer
Surrounding area
Residue sets
UniProt: Active site:20-20
UniProt: Active site:38-38
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_A0A0H3GL55
AlphaFold DB full sequence Viewing
ColabFold VK055_1487
ColabFold full sequence Loaded

Ligand evidence

Ligands grouped by evidence source. PDB ligands keep the source crystal visible, and loaded crystals can be opened directly in the structure viewer.

1 records
Chemistry signal

Structural ligand evidence is available for this target.

Direct evidence 0 same-protein records
Transferred evidence 1 records from similar proteins
Structural ligands 1 0 loaded crystals
Measured bioactivity 0 direct and transferred ChEMBL records
Proposed compounds 0 similarity-based ZINC candidates
Best available ligand signal
MOO PDB via homolog 159.9 Da · LogP -2.62 · TPSA 80.3 Open detail RCSB PDB

Structural evidence inferred from similar proteins. The source crystal indicates where the ligand was observed; the UniProt column identifies the homologous protein carrying that ligand.

Show only:
Ligand Source crystal UniProt (homolog) MW · LogP · TPSA Lipinski PAINS SMILES
MOO RCSB PDB A5F8G9 159.9 Da LogP -2.62 TPSA 80.3 ✓ Ro5 ✓ Clean [O-][Mo](=O)(=O)[O-]

PDB and ChEMBL records on this protein are shown in full. ChEMBL records from similar proteins are capped at the top 100 per protein (by pchembl) and ZINC at the top 50 (Tanimoto ≥ 0.5). ADME columns are descriptor-based screening flags, not experimental toxicity results.

Cross-references

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