KpATCC43816 Protein target profile

hexose kinase, 1-phosphofructokinase family protein

Accession: VK055_0273

Gene: AIK78899.1 3D evidence: AlphaFold DB model + ColabFold model Metabolism Not in network UniProt A0A0H3GRB7
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Length 310
Pocket druggability (P2Rank · AlphaFold DB model) 0.957
Direct ligand evidence 0 52 total records
Functional annotation 0 EC 6 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

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. Second pocket predictor agrees P2Rank predicted binding-site probability 0.96. Structure available AlphaFold DB model + ColabFold model Review the complete evidence below

Risks to review

Microbiome similarity 69 of 4744 screened genomes (1.5%) have a significant similarity hit. This target also has a predicted binding pocket (P2Rank 0.96) — check the ligand evidence before deprioritizing on off-target risk alone. Best pocket may be a modeling artifact FPocket selected-pocket score 0.93, but this pocket's geometry is unusually large/diffuse compared to this protein's other predicted pockets — may reflect a low-confidence or disordered model region rather than a real cavity.

Evidence coverage

Core evidence streams are available for this target.
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
1.5% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG)
N
DEG identity (%)
31.0 Higher values support similarity to known essential genes.

Structure confidence

ColabFold pLDDT
96.1 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) 0.957
Structure A0A0H3GRB7
Pocket Pocket 1
Druggability (FPocket) 0.925
Structure A0A0H3GRB7
Pocket Pocket 8
ColabFold model
P2Rank 0.952 · Pocket 1
FPocket 0.937 · Pocket 6
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 69 / 4744 genomes with a hit
Prevalence 1.5%

Metabolic context

Reactions catalyzed, pathway membership, and centrality in the genome-scale metabolic network.

This protein is not associated with the imported metabolic network for this genome.

Browse the genome's metabolic network

Imported from KpATCC43816.sbml · 2026-07-09

Sequence

Primary amino-acid sequence viewer.

MTKIYTLTLAPSLDSATQTPQIYPEGKLRCSAPVFEPGGGGINVARAVTFLGGKATAIFPVGGATGEHLAALLADEQVPVETVETRDWTRQNLHVHVAASGEQYRFVMPGAALTDDEFRRLEEKVLTIEPGSLLVVSGSLPPGISVDNLMQLVKNAQQQGLRCIIDSSGDALAAALDVGNIELVKPNQKELSALVQRDLSQPDDVRLAAQSLIQSGKVRRVVVSLGPQGALGVDASGSVQVVPPPMKSQSTVGAGDSMVGAMTLRLAENASLEDMVRFGVAAGSAATINQGTRLCSRANTQKIYDYLCGR

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

6 GO

Subcellular localization

Localization
Cytoplasmic

Gene Ontology (GO)

6
  • GO:0016773 Catalysis of the transfer of a phosphorus-containing group from one compound (donor) to an alcohol group (acceptor).
  • GO:0016301 Catalysis of the transfer of a phosphate group, usually from ATP, to a substrate molecule.
  • GO:0005975 The chemical reactions and pathways involving carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y.
  • GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
  • GO:0003872 Catalysis of the reaction: ATP + D-fructose-6-phosphate = ADP + D-fructose 1,6-bisphosphate.
  • GO:0005524 Binding to ATP, adenosine 5'-triphosphate, a universally important coenzyme and enzyme regulator.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

18 records
Show feature table
Start End DB Term Name
4 295 SUPERFAMILY SSF53613 Ribokinase-like
4 295 InterPro IPR029056 Ribokinase-like
38 62 ProSitePatterns PS00583 pfkB family of carbohydrate kinases signature 1.
38 62 InterPro IPR002173 Carbohydrate/purine kinase, PfkB, conserved site
20 296 Pfam PF00294 pfkB family carbohydrate kinase
20 296 InterPro IPR011611 Carbohydrate kinase PfkB
3 292 CDD cd01164 FruK_PfkB_like
3 292 InterPro IPR017583 Tagatose/fructose phosphokinase
1 308 PIRSF PIRSF000535 1PFK/6PFK/LacC
1 308 InterPro IPR017583 Tagatose/fructose phosphokinase
250 263 ProSitePatterns PS00584 pfkB family of carbohydrate kinases signature 2.
250 263 InterPro IPR002173 Carbohydrate/purine kinase, PfkB, conserved site
3 306 PANTHER PTHR46566 1-PHOSPHOFRUCTOKINASE-RELATED
3 308 FunFam G3DSA:3.40.1190.20:FF:000001 Phosphofructokinase
1 309 Gene3D G3DSA:3.40.1190.20 -
1 309 InterPro IPR029056 Ribokinase-like
4 305 NCBIfam TIGR03168 hexose kinase, FruK/PfkB/LacC family
4 305 InterPro IPR017583 Tagatose/fructose phosphokinase

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
0.957
Show in viewer
Surrounding area
Pocket 2 P2Rank #2
0.065
Show in viewer
Surrounding area
Pocket 3 P2Rank #3
0.008
Show in viewer
Surrounding area

Binding pockets · FPocket

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

Pocket 1 FPocket #8
0.925 Unusual size
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_A0A0H3GRB7
AlphaFold DB — — full sequence — Viewing
ColabFold VK055_0273
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
POP PDB via homolog 176.0 Da · LogP -2.08 · TPSA 129.9 Open detail RCSB PDB
RIB PDB via homolog Detail RCSB PDB
ZINC104251170 ZINC proposed compound · Tanimoto 0.600 Detail ZINC
ZINC203488208 ZINC proposed compound · Tanimoto 0.600 Detail ZINC
ZINC257346191 ZINC proposed compound · Tanimoto 0.600 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
POP RCSB PDB
3UQE
P06999 176.0 Da LogP -2.08 TPSA 129.9 ✓ Ro5 ✓ Clean O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
RIB RCSB PDB
6ILS
A1A6H3 150.1 Da LogP -2.58 TPSA 90.2 ✓ Ro5 ✓ Clean C([C@@H]1[C@H]([C@H]([C@H](O1)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.

Cross-references

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

Sequence

UniProt A0A0H3GRB7