KpKP13 Protein target profile

HTH-type DNA-binding domain-containing acetyltransferase

Accession: KP13_04545

Gene: AHE44420.1 3D evidence: AlphaFold DB model + ColabFold model UniProt W8UUM9
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Length 301
Pocket druggability (P2Rank · AlphaFold DB model) 0.948
Functional annotation 0 EC 4 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 0.95, FPocket 0.96). Use the 3D pocket comparison to verify whether they identify the same site. Strong predicted binding pocket FPocket selected-pocket score 0.96. This is a computational pocket signal, not binding validation. Second pocket predictor agrees P2Rank predicted binding-site probability 0.95. Structure available AlphaFold DB model + ColabFold model

Risks to review

Human similarity Top human hit identity: 30.172%. This target also has a predicted binding pocket (P2Rank 0.95) — check the ligand evidence before deprioritizing on off-target risk alone. Microbiome similarity 24 of 4744 screened genomes (0.5%) have a significant similarity hit. This target also has a predicted binding pocket (P2Rank 0.95) — check the ligand evidence before deprioritizing on off-target risk alone. Mixed conservation Core/accessory calls are not fully concordant.

Evidence gaps

No metabolic context No SBML/network-derived reaction evidence is loaded for this protein. 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 (%)
30.172 Lower values reduce human off-target concern.
Human E-value
2.1e-06
Gut microbiome similarity
0.5% 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
87.26 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) 0.948
Structure W8UUM9
Pocket Pocket 1
Druggability (FPocket) 0.957
Structure W8UUM9
Pocket Pocket 1
ColabFold model
P2Rank 0.949 · Pocket 1
FPocket 0.976 · Pocket 1
Core conservation Accessory gene
Roary accessory
CoreCruncher accessory
Gut microbiome 24 / 4744 genomes with a hit
Prevalence 0.5%

Sequence

Primary amino-acid sequence viewer.

MVRELGFMSTTLAATHYSPSAVQTLLEVSMRGEMTAAQLVTLLGLEKSSVSRMVSRLLAAGELEERPCAEDARAKSLALTAKGHDTVAKINAWGTRQVVEALDHLDETQQQTVATGLAAYARALAQCRDSALADTAPQISLMTGYQPGMIGRIAQMHGEYYARHHDFGAFFEGKVASGVAEFATRLSSPANQIWLAIREGKIVGSLAIDGEDLGQQEAHLRWFILDDSCRGTGIGRRLLSEAMAFCDSRQFSAVQLWTFKGLDAARKLYESFGFTLIREWQGEQWGKVMTEQQFTRSGNTG

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

4 GO

Subcellular localization

Localization
Unknown

Gene Ontology (GO)

4
  • GO:0016747 Catalysis of the transfer of an acyl group, other than amino-acyl, from one compound (donor) to another (acceptor).
  • GO:0006355 Any process that modulates the frequency, rate or extent of cellular DNA-templated transcription.
  • GO:0003700 A transcription regulator activity that modulates transcription of gene sets via selective and non-covalent binding to a specific double-stranded genomic DNA sequence (sometimes referred to as a motif) within a cis-regulatory region. Regulatory regions include promoters (proximal and distal) and enhancers. Genes are transcriptional units, and include bacterial operons.
  • GO:0008080 Catalysis of the transfer of an acetyl group to a nitrogen atom on the acceptor molecule.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

25 records
Show feature table
Start End DB Term Name
140 290 ProSiteProfiles PS51186 Gcn5-related N-acetyltransferase (GNAT) domain profile.
140 290 InterPro IPR000182 GNAT domain
146 286 SUPERFAMILY SSF55729 Acyl-CoA N-acyltransferases (Nat)
146 286 InterPro IPR016181 Acyl-CoA N-acyltransferase
18 74 Pfam PF12802 MarR family
18 74 InterPro IPR000835 MarR-type HTH domain
51 66 PRINTS PR00598 Bacterial regulatory protein MarR family signature
51 66 InterPro IPR000835 MarR-type HTH domain
70 86 PRINTS PR00598 Bacterial regulatory protein MarR family signature
70 86 InterPro IPR000835 MarR-type HTH domain
34 50 PRINTS PR00598 Bacterial regulatory protein MarR family signature
34 50 InterPro IPR000835 MarR-type HTH domain
8 127 SUPERFAMILY SSF46785 Winged helix DNA-binding domain
8 127 InterPro IPR036390 Winged helix DNA-binding domain superfamily
193 257 CDD cd04301 NAT_SF
10 110 SMART SM00347 marrlong4
10 110 InterPro IPR000835 MarR-type HTH domain
3 137 Gene3D G3DSA:1.10.10.10 -
3 137 InterPro IPR036388 Winged helix-like DNA-binding domain superfamily
148 284 Gene3D G3DSA:3.40.630.30 -
1 122 ProSiteProfiles PS50995 MarR-type HTH domain profile.
1 122 InterPro IPR000835 MarR-type HTH domain
153 288 PANTHER PTHR13947 GNAT FAMILY N-ACETYLTRANSFERASE
177 274 Pfam PF00583 Acetyltransferase (GNAT) family
177 274 InterPro IPR000182 GNAT domain

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
0.948
Likely same site as FPocket 1 2.8 Å 25 shared residues 100% of smaller site
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Surrounding area
Pocket 2 P2Rank #2
0.069
Likely same site as FPocket 17 4.7 Å 11 shared residues 92% of smaller site
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Surrounding area
Pocket 3 P2Rank #3
0.018
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Surrounding area
Pocket 4 P2Rank #4
0.006
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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 #1
0.957 Unusual size
Likely same site as P2Rank 1 2.8 Å 25 shared residues 100% of smaller site
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Surrounding area
Pocket 2 FPocket #17
0.248
Likely same site as P2Rank 2 4.7 Å 11 shared residues 92% of smaller site
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Surrounding area
Pocket 3 FPocket #21
0.215
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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_W8UUM9
AlphaFold DB — — full sequence — Viewing
ColabFold KP13_04545
ColabFold — — full sequence — Loaded

Cross-references

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

Sequence

UniProt W8UUM9