KpKP13 Protein target profile

putative arylsulfatase regulator

Accession: KP13_00927

Gene: AHE43290.1 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A0H3GTJ6
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Length 392
Pocket druggability (P2Rank · AlphaFold DB model) 0.924
Functional annotation 0 EC 5 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. Moderate predicted binding pocket FPocket selected-pocket score 0.61. This supports review but is not experimental validation. Second pocket predictor agrees P2Rank predicted binding-site probability 0.92. Review the complete evidence below

Risks to review

Microbiome similarity 7 of 4744 screened genomes (0.1%) have a significant similarity hit. This target also has a predicted binding pocket (P2Rank 0.92) — 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
0.1% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG)
Y
DEG identity (%)
42.308 Higher values support similarity to known essential genes.
DEG E-value
2.52e-111 Smaller values mean stronger essential-gene similarity.

Structure confidence

ColabFold pLDDT
94.39 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) 0.924
Structure A0A0H3GTJ6
Pocket Pocket 1
Druggability (FPocket) 0.611
Structure A0A0H3GTJ6
Pocket Pocket 2
ColabFold model
P2Rank 0.988 · Pocket 1
FPocket 0.654 · Pocket 19
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 7 / 4744 genomes with a hit
Prevalence 0.1%

Sequence

Primary amino-acid sequence viewer.

MSANFNTVAKPGGNRCNLACRYCFYLENEVPRPGYATMDDLTLEAYIHNTISSTPSQNVEFCWQGGEPTLCGLDFFAKVVELQQRYRGNKMIANSLQTNGILLNDKWARFLRRHGFLVGLSIDGPASLHDTWRTTGCGKPTWEKVVQAIRCLQQHDVPVNAMVVVSRQSASQGKSLYRCLSRELNLHHLQFIPLVDSPAPWSVTPEGWGKFLCSVFDDWLENDVGRVFIQYFDNLLGVWAGQPATLCTMQPVCGQSLLVEQNGDVYSCDHFVSAEYKLGNLKQDAMAAMASSPFQQQFGKQKGQLSARCQGCHWRFACHGGCPKHRFTIHDDEAQNYLCSGYLTFFGHITPYMNVMRRLLLNCQPPALIMSLIPEIRQNILQLTESEDERTK

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

5 GO

Subcellular localization

Localization
Cytoplasmic

Gene Ontology (GO)

5
  • GO:0016491 Catalysis of an oxidation-reduction (redox) reaction, a reversible chemical reaction in which the oxidation state of an atom or atoms within a molecule is altered. One substrate acts as a hydrogen or electron donor and becomes oxidized, while the other acts as hydrogen or electron acceptor and becomes reduced.
  • GO:0003824 Catalysis of a biochemical reaction at physiological temperatures. In biologically catalyzed reactions, the reactants are known as substrates, and the catalysts are naturally occurring macromolecular substances known as enzymes. Enzymes possess specific binding sites for substrates, and are usually composed wholly or largely of protein, but RNA that has catalytic activity (ribozyme) is often also regarded as enzymatic.
  • GO:0051539 Binding to a 4 iron, 4 sulfur (4Fe-4S) cluster; this cluster consists of four iron atoms, with the inorganic sulfur atoms found between the irons and acting as bridging ligands.
  • GO:0051536 Binding to an iron-sulfur cluster, a combination of iron and sulfur atoms.
  • GO:0046872 Binding to a metal ion.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

25 records
Show feature table
Start End DB Term Name
309 330 ProSitePatterns PS00028 Zinc finger C2H2 type domain signature.
309 330 InterPro IPR013087 Zinc finger C2H2-type
14 322 SUPERFAMILY SSF102114 Radical SAM enzymes
1 233 ProSiteProfiles PS51918 Radical SAM core domain profile.
1 233 InterPro IPR007197 Radical SAM
253 339 NCBIfam TIGR04085 SPASM domain
253 339 InterPro IPR023885 4Fe4S-binding SPASM domain
246 351 CDD cd21120 SPASM_anSME
246 351 InterPro IPR047207 Anaerobic sulfatase maturating enzyme, SPASM domain
14 164 Pfam PF04055 Radical SAM superfamily
14 164 InterPro IPR007197 Radical SAM
3 373 SFLD SFLDS00029 Radical SAM
3 373 InterPro IPR007197 Radical SAM
3 373 SFLD SFLDF00285 anaerobic Ser-type sulfatase-maturating enzyme
3 373 InterPro IPR034491 Anaerobic Ser-type sulfatase-maturating enzyme
253 313 Pfam PF13186 Iron-sulfur cluster-binding domain
253 313 InterPro IPR023885 4Fe4S-binding SPASM domain
13 165 CDD cd01335 Radical_SAM
3 360 Gene3D G3DSA:3.20.20.70 Aldolase class I
3 360 InterPro IPR013785 Aldolase-type TIM barrel
14 336 SFLD SFLDG01384 thioether bond formation requiring two auxiliary iron-sulfur clusters
14 336 InterPro IPR023867 Anaerobic sulphatase maturase, radical SAM
3 372 PANTHER PTHR43273 ANAEROBIC SULFATASE-MATURATING ENZYME HOMOLOG ASLB-RELATED
3 372 InterPro IPR023867 Anaerobic sulphatase maturase, radical SAM
7 358 NCBIfam TIGR03942 anaerobic sulfatase maturase

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
0.924
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Surrounding area
Pocket 2 P2Rank #2
0.677
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Surrounding area
Pocket 3 P2Rank #3
0.212
Likely same site as FPocket 2 1.7 Å 9 shared residues 100% of smaller site
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Surrounding area
Pocket 4 P2Rank #4
0.159
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Surrounding area
Pocket 5 P2Rank #5
0.03
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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 #2
0.611
Likely same site as P2Rank 3 1.7 Å 9 shared residues 100% of smaller site
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_A0A0H3GTJ6
AlphaFold DB — — full sequence — Viewing
ColabFold KP13_00927
ColabFold — — full sequence — Loaded

Cross-references

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

Sequence

UniProt A0A0H3GTJ6