KpKP13 Protein target profile

Transcriptional regulatory protein qseB

Accession: KP13_02787

Gene: qseB AHE42644.1 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A0H3GTE4
Length 219
Pocket druggability (P2Rank · AlphaFold DB model) 0.053
Direct ligand evidence 0 2 total records
Functional annotation 0 EC 7 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.

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
3.2% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG)
Y
DEG identity (%)
58.986 Higher values support similarity to known essential genes.
DEG E-value
2.8e-92 Smaller values mean stronger essential-gene similarity.

Structure confidence

ColabFold pLDDT
90.42 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) 0.053
Structure A0A0H3GTE4
Pocket Pocket 1
Druggability (FPocket) 0.72
Structure A0A0H3GTE4
Pocket Pocket 2
ColabFold model
P2Rank 0.125 · Pocket 1
FPocket 0.748 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 150 / 4744 genomes with a hit
Prevalence 3.2%

Sequence

Primary amino-acid sequence viewer.

MRILLVEDDKLIGDGIKAGLSKMGFSIDWFTAGLEGKNALYSAPYDAAILDLTLPGIDGLDILREWRDKGRHEPVLILTARDALSQRVEGLRLGADDYLCKPFALIEVAARLEALIRRAHGQSSSELRHGKVILDPNRLTASLDGESLALKPKEFALLELLMRNAGRVLPRKLIEEKLYTWDDEVSSNAVEVHVHHLRRKLGSDFIRTVHGIGYTLGDA

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

7 GO

Subcellular localization

Localization
Cytoplasmic

Gene Ontology (GO)

7
  • GO:0006355 Any process that modulates the frequency, rate or extent of cellular DNA-templated transcription.
  • GO:0000160 A conserved series of molecular signals found in prokaryotes and eukaryotes; involves autophosphorylation of a histidine kinase and the transfer of the phosphate group to an aspartate that then acts as a phospho-donor to response regulator proteins.
  • GO:0003677 Any molecular function by which a gene product interacts selectively and non-covalently with DNA (deoxyribonucleic acid).
  • GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
  • GO:0032993 A macromolecular complex containing both protein and DNA molecules.
  • GO:0000156 Responds to a phosphorelay sensor to initiate a change in cell state or activity. The activity of the response regulator is regulated by transfer of a phosphate from a histidine residue in the sensor, to an aspartate residue in the response regulator. Many but not all response regulators act as transcriptional regulators to elicit a response.
  • GO:0000976 Binding to a specific sequence of DNA that is part of a regulatory region that controls transcription of that section of the DNA. The transcribed region might be described as a gene, cistron, or operon.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

24 records
Show feature table
Start End DB Term Name
121 218 FunFam G3DSA:1.10.10.10:FF:000005 Two-component system response regulator
1 80 Gene3D G3DSA:3.40.50.2300 -
145 216 Pfam PF00486 Transcriptional regulatory protein, C terminal
145 216 InterPro IPR001867 OmpR/PhoB-type DNA-binding domain
1 80 FunFam G3DSA:3.40.50.2300:FF:000002 DNA-binding response regulator PhoP
3 117 CDD cd17624 REC_OmpR_PmrA-like
124 218 ProSiteProfiles PS51755 OmpR/PhoB-type DNA-binding domain profile.
124 218 InterPro IPR001867 OmpR/PhoB-type DNA-binding domain
2 116 ProSiteProfiles PS50110 Response regulatory domain profile.
2 116 InterPro IPR001789 Signal transduction response regulator, receiver domain
1 173 SUPERFAMILY SSF52172 CheY-like
1 173 InterPro IPR011006 CheY-like superfamily
1 112 SMART SM00448 REC_2
1 112 InterPro IPR001789 Signal transduction response regulator, receiver domain
145 216 SMART SM00862 Trans_reg_C_3
81 118 Gene3D G3DSA:6.10.250.690 -
3 112 Pfam PF00072 Response regulator receiver domain
3 112 InterPro IPR001789 Signal transduction response regulator, receiver domain
121 218 Gene3D G3DSA:1.10.10.10 -
121 218 InterPro IPR036388 Winged helix-like DNA-binding domain superfamily
132 216 CDD cd00383 trans_reg_C
132 216 InterPro IPR001867 OmpR/PhoB-type DNA-binding domain
1 216 PANTHER PTHR48111 REGULATOR OF RPOS
1 216 InterPro IPR039420 Transcriptional regulatory protein WalR-like

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
0.053
Show in viewer
Surrounding area

Binding pockets · FPocket

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

Pocket 1 FPocket #2
0.72
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_A0A0H3GTE4
AlphaFold DB full sequence Viewing
ColabFold KP13_02787
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.

2 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 0 similarity-based ZINC candidates
Best available ligand signal
BEF PDB via homolog 66.0 Da · LogP 0.88 · TPSA 0.0 Open detail RCSB PDB
CAC PDB via homolog 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
BEF RCSB PDB A0A0R4I965 66.0 Da LogP 0.88 TPSA 0.0 ✓ Ro5 ✓ Clean [Be-](F)(F)F
CAC RCSB PDB P71814 137.0 Da LogP -0.52 TPSA 40.1 ✓ Ro5 ✓ Clean C[As](=O)(C)[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.