Protein target profile

KP13_02478

N-acetyltransferase

Genome: KpKP13 Gene: AHE46491.1 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A6A8EDS6
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Length 276
Pocket druggability 0.022
Direct ligand evidence 0 52 total records
Functional annotation 0 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.

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 0.82. Structure available AlphaFold DB model + ColabFold model Ligand evidence via structure/bioactivity 2 structural and 0 bioactivity records.

Risks to review

Microbiome similarity 11 of 4744 screened genomes (0.2%) have a significant similarity hit. Mixed conservation Core/accessory calls are not fully concordant. Weak predicted binding pocket FPocket selected-pocket score 0.02.

Evidence gaps

No metabolic context No SBML/network-derived reaction evidence is loaded for 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
No hit
Gut microbiome similarity
0.2% 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.

Localization

Localization
CytoplasmicMembrane

Structure confidence

ColabFold pLDDT
92.24 0-100 confidence; >70 supports local structural interpretation.

Binding-site evidence

AlphaFold DB / UniProt model

The selected pocket score is the FPocket value used for ranking after applying the curated structure priority. It estimates small-molecule pocket quality; it is not experimental binding evidence. The 3D viewer may show a different loaded structure, so visible pockets can differ.

FPocket 0.022
Structure A0A6A8EDS6
Pocket Pocket 3
P2Rank 0.816
Structure A0A6A8EDS6
Pocket Pocket 1
ColabFold model
FPocket 0.613 · Pocket 1
P2Rank 0.847 · Pocket 1
Core conservation Accessory gene
Roary accessory
CoreCruncher accessory
Gut microbiome 11 / 4744 genomes with a hit
Prevalence 0.2%

Cross-references

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

Sequence

UniProt A0A6A8EDS6

Sequence

Primary amino-acid sequence viewer.

MELTAVPATQFSSVQLTDILNACFEAYLVPVTQSVEGFVQRFSAEGMSLVDSRVWLAGDEPAAIAIVARRGSAARLAAFALRPAWRGKGLGRKLMQELLMLLQQQGIETVFLEVIRDNHAAVALYQSLGFTRRYGLCGYLSTELLPPVPGVLQLYPTLSLLRRAIEESNSHLPWLLDPLTFATLPCQVVTLEHRAFAVLTTAGSRPVLSFLWVEPAARRQGLARELLMALAQQFPGIGTSVTVPETYTPLFAAAGYTPLSLQQYEMTMDLADAKSA

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 GO

Gene Ontology (GO)

1
  • GO:0016747 Catalysis of the transfer of an acyl group, other than amino-acyl, from one compound (donor) to another (acceptor).

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

14 records
Show feature table
Start End DB Term Name
51 130 Pfam PF00583 Acetyltransferase (GNAT) family
51 130 InterPro IPR000182 GNAT domain
182 260 SUPERFAMILY SSF55729 Acyl-CoA N-acyltransferases (Nat)
182 260 InterPro IPR016181 Acyl-CoA N-acyltransferase
3 149 ProSiteProfiles PS51186 Gcn5-related N-acetyltransferase (GNAT) domain profile.
3 149 InterPro IPR000182 GNAT domain
195 234 CDD cd04301 NAT_SF
142 276 ProSiteProfiles PS51186 Gcn5-related N-acetyltransferase (GNAT) domain profile.
142 276 InterPro IPR000182 GNAT domain
2 141 Gene3D G3DSA:3.40.630.30 -
178 276 Gene3D G3DSA:3.40.630.30 -
15 133 SUPERFAMILY SSF55729 Acyl-CoA N-acyltransferases (Nat)
15 133 InterPro IPR016181 Acyl-CoA N-acyltransferase
64 142 PANTHER PTHR43420 ACETYLTRANSFERASE

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

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

Site 1 P2Rank #1
0.816
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Surrounding area
Site 2 P2Rank #2
0.655
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Surrounding area
Site 3 P2Rank #3
0.215
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Surrounding area
Site 4 P2Rank #4
0.1
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Surrounding area
Site 5 P2Rank #5
0.041
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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_A0A6A8EDS6
AlphaFold DB — — full sequence — Viewing
ColabFold KP13_02478
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.

52 records
Chemistry signal

Structural ligand evidence is available for this target.

Direct evidence 0 same-protein records
Transferred evidence 2 records from similar proteins
Structural ligands 2 0 loaded crystals
Measured bioactivity 0 direct and transferred ChEMBL records
Proposed compounds 50 similarity-based ZINC candidates
Best available ligand signal
CMC PDB via homolog 825.6 Da · LogP -1.78 · TPSA 383.9 Open detail RCSB PDB
IHP PDB via homolog Detail RCSB PDB
ZINC13556870 ZINC proposed compound · Tanimoto 0.722 Detail ZINC
ZINC71789368 ZINC proposed compound · Tanimoto 0.722 Detail ZINC
ZINC71792243 ZINC proposed compound · Tanimoto 0.722 Detail ZINC

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
CMC RCSB PDB
7L1K
O74311 825.6 Da LogP -1.78 TPSA 383.9 3 viol. ✓ Clean CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H](…
IHP RCSB PDB
7L1K
O74311 660.0 Da LogP -3.13 TPSA 400.6 3 viol. ✓ Clean C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(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.