KpATCC43816 Protein target profile

thiF family protein

Accession: VK055_5077

Gene: AIK83603.1 3D evidence: AlphaFold DB model + ColabFold model Metabolism Not in network UniProt A4GZH6
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Length 464
Pocket druggability (P2Rank · AlphaFold DB model) 0.829
Functional annotation 0 EC 7 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. Moderate predicted binding pocket FPocket selected-pocket score 0.55. This supports review but is not experimental validation. Second pocket predictor agrees P2Rank predicted binding-site probability 0.83. Structure available AlphaFold DB model + ColabFold model

Risks to review

Microbiome similarity 2 of 4744 screened genomes (0.0%) have a significant similarity hit. This target also has a predicted binding pocket (P2Rank 0.83) — check the ligand evidence before deprioritizing on off-target risk alone. Mixed conservation Core/accessory calls are not fully concordant.

Evidence gaps

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
0.0% 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
92.45 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) 0.829
Structure A4GZH6
Pocket Pocket 1
Druggability (FPocket) 0.547
Structure A4GZH6
Pocket Pocket 5
ColabFold model
P2Rank 0.863 · Pocket 1
FPocket 0.171 · Pocket 24
Core conservation Accessory gene
Roary accessory
CoreCruncher accessory
Gut microbiome 2 / 4744 genomes with a hit
Prevalence 0.0%

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.

MSSKGGRTMSTGSRLILTQELHASLRKHLFPGDGKEAAAILVCNRYDGTRLKLLAKKLILVPYQECKSRTIDFISWPGSYLEKAIDTAEEKSMSIILVHSHPGGFLAFSDMDDASDVQTMASLFQGVNTIHGSAIMIPDGNMRARFYREGKYSENVELVTVAGDNIHYWWDGLAEPRPPAMAFTSGMTDTFNKLTAAVIGVSGTGSIVAEQVARLGFGEIILIDHDHIEKKNLNRILNSTLEDAMVCRPKVDMFAEVIKRIRGGDIARPIHNTIFSREAVLAAANADIIFCCVDTYHARMIADRIASAFLIPLLDVGVKIPTHVDPDDGRKITDVTGRIDYVKPGGSTLSDRHVYTPELIYRENLSAKDYEDQVGRCYITGVQEEAPSVITLNMRAASACVSEFIARCFPFREYPNKRFARTMFSLSGAEEDYIDESEIEKALNPRLAVGCEEPLLGIPELGGK

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

7 GO

Subcellular localization

Localization
Cytoplasmic

Gene Ontology (GO)

7
  • GO:0008641 Catalysis of the activation of small proteins, such as ubiquitin or ubiquitin-like proteins, through the formation of an ATP-dependent high-energy thiolester bond.
  • GO:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
  • GO:0046872 Binding to a metal ion.
  • GO:0008237 Catalysis of the hydrolysis of peptide bonds by a mechanism in which water acts as a nucleophile, one or two metal ions hold the water molecule in place, and charged amino acid side chains are ligands for the metal ions.
  • GO:0016779 Catalysis of the transfer of a nucleotidyl group from one compound (donor) to another (acceptor).
  • GO:0004792 Catalysis of the reaction: thiosulfate + hydrogen cyanide = thiocyanate + sulfite + 2 H+.
  • GO:0006508 The hydrolysis of proteins into smaller polypeptides and/or amino acids by cleavage of their peptide bonds.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

10 records
Show feature table
Start End DB Term Name
197 317 CDD cd01483 E1_enzyme_family
184 429 Pfam PF00899 ThiF family
184 429 InterPro IPR000594 THIF-type NAD/FAD binding fold
191 334 PANTHER PTHR10953 UBIQUITIN-ACTIVATING ENZYME E1
191 334 InterPro IPR045886 ThiF/MoeB/HesA family
19 139 Pfam PF14464 Prokaryotic homologs of the JAB domain
19 139 InterPro IPR028090 JAB domain, prokaryotic
192 447 Gene3D G3DSA:3.40.50.720 -
191 406 SUPERFAMILY SSF69572 Activating enzymes of the ubiquitin-like proteins
191 406 InterPro IPR035985 Ubiquitin-activating enzyme

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
0.829
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Surrounding area
Pocket 2 P2Rank #2
0.255
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Surrounding area
Pocket 3 P2Rank #3
0.12
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Surrounding area
Pocket 4 P2Rank #4
0.087
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Surrounding area
Pocket 5 P2Rank #5
0.08
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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 #5
0.547
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Surrounding area
Pocket 2 FPocket #23
0.542 Unusual size
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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_A4GZH6
AlphaFold DB — — full sequence — Viewing
ColabFold VK055_5077
ColabFold — — full sequence — Loaded

Cross-references

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

Sequence

UniProt A4GZH6