Protein target profile

KP13_00476

hypothetical protein

Genome: KpKP13 Gene: AHE46791.1 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A0H3GHW3
Export view
Length 198
Pocket druggability 0.983
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: FPocket + P2Rank Both predictors report a high-scoring binding site (FPocket 0.98, P2Rank 0.65). Use the 3D pocket comparison to verify whether they identify the same site. 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. Strong predicted binding pocket FPocket selected-pocket score 0.98. This is a computational pocket signal, not binding validation. Review the complete evidence below

Risks to review

Microbiome similarity 17 of 4744 screened genomes (0.4%) have a significant similarity hit. This target also has a predicted binding pocket (FPocket 0.98) — check the ligand evidence before deprioritizing on off-target risk alone.

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
0.4% 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
Unknown

Structure confidence

ColabFold pLDDT
71.46 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 0.983
Structure A0A0H3GHW3
Pocket Pocket 12
P2Rank 0.652
Structure A0A0H3GHW3
Pocket Pocket 1
ColabFold model
FPocket 0.721 · Pocket 3
P2Rank 0.519 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 17 / 4744 genomes with a hit
Prevalence 0.4%

Cross-references

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

Sequence

UniProt A0A0H3GHW3

Sequence

Primary amino-acid sequence viewer.

MLKGRFVATLMILVTQDYYLFQGVKNFFPDIIQLDSSGKAILDNEVDEVSLLVDSRSPLCHYDYLVLAAAKSRKRICCIVLDMRHREEHLLSLKSFLNMSLSPADMATLFGLFLEMNSKRLTKEWFDDLRLSLSEQLMLRLLMAGMTMEEVAVNLNTSLKSLYRKRTALYERLGLDNFNEACLFIFRNKLLEQTERSL

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

2 GO

Gene Ontology (GO)

2
  • GO:0006355 Any process that modulates the frequency, rate or extent of cellular DNA-templated transcription.
  • 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.

10 records
Show feature table
Start End DB Term Name
124 189 ProSiteProfiles PS50043 LuxR-type HTH domain profile.
124 189 InterPro IPR000792 Transcription regulator LuxR, C-terminal
128 185 SMART SM00421 luxrmega5
128 185 InterPro IPR000792 Transcription regulator LuxR, C-terminal
131 181 Pfam PF00196 Bacterial regulatory proteins, luxR family
131 181 InterPro IPR000792 Transcription regulator LuxR, C-terminal
125 192 SUPERFAMILY SSF46894 C-terminal effector domain of the bipartite response regulators
125 192 InterPro IPR016032 Signal transduction response regulator, C-terminal effector
100 194 Gene3D G3DSA:1.10.10.10 -
100 194 InterPro IPR036388 Winged helix-like DNA-binding domain superfamily

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

Loading 3D structure...

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 · FPocket

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

Site 1 FPocket #12
0.983
Likely same site as P2Rank 1 1.4 Å 18 shared residues 95% of smaller site
Unusual size
Show in viewer
Surrounding area

Binding pockets · P2Rank

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

Site 1 P2Rank #1
0.652
Likely same site as FPocket 12 1.4 Å 18 shared residues 95% of smaller site
Show in viewer
Surrounding area
Site 2 P2Rank #2
0.339
Show in viewer
Surrounding area
Site 3 P2Rank #3
0.009
Show in viewer
Surrounding area
Site 4 P2Rank #4
0.009
Show in viewer
Surrounding area
Site 5 P2Rank #5
0.005
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_A0A0H3GHW3
AlphaFold DB — — full sequence — Viewing
ColabFold KP13_00476
ColabFold — — full sequence — Loaded