KpKP13 Protein target profile

putative HTH-type transcriptional regulator

Accession: KP13_03761

Gene: AHE43702.1 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A0H3GQM0
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Length 103
Pocket druggability (P2Rank · AlphaFold DB model) 0.037
Functional annotation 0 EC 3 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. Core gene across strains Marked as conserved by both pan-genome tools: Roary and CoreCruncher. Structure available AlphaFold DB model + ColabFold model

Risks to review

Microbiome similarity 52 of 4744 screened genomes (1.1%) have a significant similarity hit. Weak predicted binding pocket FPocket selected-pocket score 0.19. Weak second pocket-predictor signal P2Rank predicted binding-site probability 0.04.

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
No hit
Gut microbiome similarity
1.1% 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
89.62 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) 0.037
Structure A0A0H3GQM0
Pocket Pocket 1
Druggability (FPocket) 0.189
Structure A0A0H3GQM0
Pocket Pocket 2
ColabFold model
P2Rank 0.095 · Pocket 1
FPocket 0.524 · Pocket 3
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 52 / 4744 genomes with a hit
Prevalence 1.1%

Cross-references

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

Sequence

UniProt A0A0H3GQM0

Sequence

Primary amino-acid sequence viewer.

MIANHPEREQIRLENVLSALGNPLRLEIIRTLADGSELSCNALRQEEVAKSTMTHHWRVLRDSGVIWQRPQGRENMISLRREDLDARFPGLLDTLLKVMVQAG

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

3 GO

Subcellular localization

Localization
Unknown

Gene Ontology (GO)

3
  • 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:0003677 Any molecular function by which a gene product interacts selectively and non-covalently with DNA (deoxyribonucleic acid).

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

18 records
Show feature table
Start End DB Term Name
15 73 Pfam PF12840 Helix-turn-helix domain
49 64 PRINTS PR00778 Bacterial regulatory protein ArsR family signature
49 64 InterPro IPR001845 HTH ArsR-type DNA-binding domain
17 32 PRINTS PR00778 Bacterial regulatory protein ArsR family signature
17 32 InterPro IPR001845 HTH ArsR-type DNA-binding domain
64 79 PRINTS PR00778 Bacterial regulatory protein ArsR family signature
64 79 InterPro IPR001845 HTH ArsR-type DNA-binding domain
3 93 SUPERFAMILY SSF46785 Winged helix DNA-binding domain
3 93 InterPro IPR036390 Winged helix DNA-binding domain superfamily
17 83 CDD cd00090 HTH_ARSR
17 83 InterPro IPR011991 ArsR-like helix-turn-helix domain
2 102 Gene3D G3DSA:1.10.10.10 -
2 102 InterPro IPR036388 Winged helix-like DNA-binding domain superfamily
7 94 PANTHER PTHR33154 TRANSCRIPTIONAL REGULATOR, ARSR FAMILY
5 99 ProSiteProfiles PS50987 ArsR-type HTH domain profile.
5 99 InterPro IPR001845 HTH ArsR-type DNA-binding domain
15 93 SMART SM00418 arsrmega2
15 93 InterPro IPR001845 HTH ArsR-type DNA-binding 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
0.037
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Surrounding area
Pocket 2 P2Rank #2
0.033
Show in viewer
Surrounding area
Pocket 3 P2Rank #3
0.0
Show in viewer
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_A0A0H3GQM0
AlphaFold DB — — full sequence — Viewing
ColabFold KP13_03761
ColabFold — — full sequence — Loaded