KpKP13 Protein target profile

Sulphatase-modifying factor domain-containing protein

Accession: KP13_01487

Gene: AHE43979.1 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A2I5KY02

Export view

Length 297

Pocket druggability (P2Rank · AlphaFold DB model) 0.236

Direct ligand evidence 0 15 total records

Functional annotation 1 EC 2 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

Structure available AlphaFold DB model + ColabFold model Ligand evidence via structure/bioactivity 4 structural and 0 bioactivity records.

Risks to review

Evidence gaps

No metabolic context No SBML/network-derived reaction evidence is loaded for 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: Hit
Human identity (%): 36.09 Lower values reduce human off-target concern.
Human E-value: 4.36e-06
Gut microbiome similarity: 0.1% 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: 92.92 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) 0.236

Structure A0A2I5KY02

Pocket Pocket 1

Druggability (FPocket) 0.217

Structure A0A2I5KY02

Pocket Pocket 1

ColabFold model

P2Rank 0.252 · Pocket 1

FPocket 0.34 · Pocket 11

Core conservation Accessory gene

Roary accessory

CoreCruncher accessory

Gut microbiome 7 / 4744 genomes with a hit

Prevalence 0.1%

Sequence

Primary amino-acid sequence viewer.

MRKLIVVASVAASLLLGCDQKSADKRETLSEALVAKSLSNMVPVQGGEFLMGDFGPLVGQKLPFSINQDDKVLHKVVLSDFSISKFKVTNDDYNKYLQITGVKKAPIHIFLKNYPSLQKGDYSVGVTWQQAKDYCQWLDKESGNKIDLPTEAQWEYAARSRGQYFQFPTNNGEYLPGKNVPGKDELDKYTDGFGFPFYPVGKYPPNPLGLYDMGLSGSEWTNDWYASDYYSHSPVNDPQGPAQGTKKVLRGYIGGDRQYALTMFRQSKLPVPKIDKDDDYEKYGVGPQYVFRCVVNK

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 2 GO

Subcellular localization

Localization: Unknown

Enzyme Commission (EC)

2.7.11.1

Gene Ontology (GO)

GO:0120147 Catalysis of the reaction: A [sulfatase]-L-cysteine + O2 + 2 a thiol = a [sulfatase]-3-oxo-L-alanine + hydrogen sulfide + a disulfide + H2O.
GO:0004674 Catalysis of the reactions: ATP + protein serine = ADP + protein serine phosphate, and ATP + protein threonine = ADP + protein threonine phosphate.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

15 records

Show feature table

Start	End	DB	Term	Name
1	20	Phobius	SIGNAL_PEPTIDE	Signal peptide region
17	20	Phobius	SIGNAL_PEPTIDE_C_REGION	C-terminal region of a signal peptide.
40	251	SUPERFAMILY	SSF56436	C-type lectin-like
40	251	InterPro	IPR016187	C-type lectin fold
1	3	Phobius	SIGNAL_PEPTIDE_N_REGION	N-terminal region of a signal peptide.
1	23	SignalP_GRAM_POSITIVE	SignalP-TM	SignalP-TM
39	251	Pfam	PF03781	Sulfatase-modifying factor enzyme 1
39	251	InterPro	IPR005532	Sulfatase-modifying factor enzyme
36	297	Gene3D	G3DSA:3.90.1580.10	-
36	297	InterPro	IPR042095	Sulfatase-modifying factor enzyme superfamily
21	297	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1	18	ProSiteProfiles	PS51257	Prokaryotic membrane lipoprotein lipid attachment site profile.
24	251	PANTHER	PTHR23150	SULFATASE MODIFYING FACTOR 1, 2
4	16	Phobius	SIGNAL_PEPTIDE_H_REGION	Hydrophobic region of a signal peptide.
1	23	SignalP_EUK	SignalP-noTM	SignalP-noTM

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 · P2Rank

Druggability (P2Rank): high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Pocket 1 P2Rank #1

0.236

Show in viewer

Surrounding area

Pocket 2 P2Rank #2

0.216

Likely same site as FPocket 1 2.9 Å 14 shared residues 88% of smaller site

Show in viewer

Surrounding area

Pocket 3 P2Rank #3

0.101

Show in viewer

Surrounding area

Pocket 4 P2Rank #4

0.027

Show in viewer

Surrounding area

Pocket 5 P2Rank #5

0.015

Show in viewer

Surrounding area

Binding pockets · FPocket

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

Pocket 1 FPocket #1

0.217

Likely same site as P2Rank 2 2.9 Å 14 shared residues 88% of smaller site

Show in viewer

Surrounding area

Binding pockets · P2Rank

Druggability (P2Rank): high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Pocket 1 P2Rank #1

0.252

Likely same site as FPocket 11 3.4 Å 9 shared residues 100% of smaller site

Show in viewer

Surrounding area

Pocket 2 P2Rank #2

0.215

Show in viewer

Surrounding area

Pocket 3 P2Rank #3

0.051

Show in viewer

Surrounding area

Pocket 4 P2Rank #4

0.031

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_A0A2I5KY02	AlphaFold DB	—	—	full sequence	—	Viewing
ColabFold KP13_01487	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.

15 records

Chemistry signal

Structural ligand evidence is available for this target.

Direct evidence 0 same-protein records

Transferred evidence 4 records from similar proteins

Structural ligands 4 0 loaded crystals

Measured bioactivity 0 direct and transferred ChEMBL records

Proposed compounds 11 similarity-based ZINC candidates

Best available ligand signal

ACM PDB via homolog 59.1 Da · LogP -0.51 · TPSA 43.1 Open detail RCSB PDB

DTT PDB via homolog Detail RCSB PDB

OXY PDB via homolog Detail RCSB PDB

SOA PDB via homolog Detail RCSB PDB

ZINC243037 ZINC proposed compound · Tanimoto 0.619 Detail ZINC

Highest-confidence structural evidence: ligands co-crystallized with this exact protein. If the source PDB is loaded in Target, use Open crystal to inspect it in the structure viewer.

No PDB structure with a co-crystallized ligand found for this exact protein.

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.

Ligand	Source crystal	UniProt (homolog)	MW · LogP · TPSA	Lipinski	PAINS	SMILES
ACM RCSB PDB	2AII	Q8NBK3	59.1 Da LogP -0.51 TPSA 43.1	✓ Ro5	✓ Clean	`CC(=O)N`
DTT RCSB PDB	6MUJ	Q9F3C7	154.3 Da LogP -0.43 TPSA 40.5	✓ Ro5	✓ Clean	`C([C@@H]([C@H](CS)O)O)S`
OXY RCSB PDB	6XTM	D1A7C3	32.0 Da LogP 0.07 TPSA 34.1	✓ Ro5	✓ Clean	`O=O`
SOA RCSB PDB	6XTL	D1A7C3	123.2 Da LogP 0.76 TPSA 46.2	✓ Ro5	✓ Clean	`c1ccc(c(c1)CO)N`

Experimental bioactivity from ChEMBL measured directly on this protein. Score = pchembl (−log Ki/IC₅₀; higher = more potent).

No ChEMBL bioactivity data found for this exact protein.

Bioactivity inferred from similar proteins in ChEMBL. Score = pchembl (−log Ki/IC₅₀; higher = more potent).

No ChEMBL hits found through similar proteins.

Proposed virtual-screening candidates from ZINC. Score = Tanimoto similarity to a known binder (0–1; higher = more similar).

Ligand	Tanimoto	MW · LogP · TPSA	Lipinski	PAINS	SMILES
ZINC243037 ZINC	0.619	212.3 Da LogP 2.64 TPSA 52.0	✓ Ro5	✓ Clean	`Nc1ccccc1CCc1ccccc1N`
ZINC143032764 ZINC	0.600	202.1 Da LogP 1.52 TPSA 46.2	✓ Ro5	✓ Clean	`Nc1cccc(CO)c1Br`
ZINC82505543 ZINC	0.593	215.3 Da LogP 2.55 TPSA 55.5	✓ Ro5	✓ Clean	`Nc1ccccc1Oc1ccccc1CO`
ZINC3845163 ZINC	0.565	240.3 Da LogP 3.42 TPSA 52.0	✓ Ro5	✓ Clean	`Nc1ccccc1CCCCc1ccccc1N`
ZINC56708 ZINC	0.545	214.3 Da LogP 2.34 TPSA 40.5	✓ Ro5	✓ Clean	`OCc1ccccc1-c1ccccc1CO`
ZINC169422275 ZINC	0.542	332.5 Da LogP 3.64 TPSA 81.3	✓ Ro5	✓ Clean	`Nc1ccccc1CN(Cc1ccccc1N)Cc1ccccc1N`
ZINC38342126 ZINC	0.542	228.3 Da LogP 2.57 TPSA 61.3	✓ Ro5	✓ Clean	`Nc1ccccc1COCc1ccccc1N`
ZINC238691824 ZINC	0.538	249.1 Da LogP 1.37 TPSA 46.2	✓ Ro5	✓ Clean	`Nc1cc(I)ccc1CO`
ZINC14000457 ZINC	0.536	210.3 Da LogP 0.06 TPSA 69.7	✓ Ro5	✓ Clean	`Nc1ccccc1CN(CCO)CCO`
ZINC169664753 ZINC	0.500	274.3 Da LogP 2.13 TPSA 58.9	✓ Ro5	✓ Clean	`OCc1ccccc1OCCOc1ccccc1CO`
ZINC391102 ZINC	0.500	234.0 Da LogP 1.78 TPSA 20.2	✓ Ro5	✓ Clean	`OCc1ccccc1I`

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 A0A2I5KY02