KpATCC43816 Protein target profile

sulfatase family protein

Accession: VK055_1723

Gene: AIK80343.1 3D evidence: AlphaFold DB model + ColabFold model Metabolism Not in network UniProt A0A0H3GLS1

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Length 546

Pocket druggability (P2Rank · AlphaFold DB model) 0.948

Direct ligand evidence 0 35 total records

Functional annotation 0 EC 3 GO

Target summary

Strong target candidate with converging metabolic, structural and chemical evidence.

Automated synthesis of the evidence currently loaded. Review the underlying records before prioritizing this protein.

Main supporting evidence

Independent pocket support: P2Rank + FPocket Both predictors report a high-scoring binding site (P2Rank 0.95, FPocket 0.94). Use the 3D pocket comparison to verify whether they identify the same site. 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. Strong predicted binding pocket FPocket selected-pocket score 0.94. This is a computational pocket signal, not binding validation. Review the complete evidence below

Risks to review

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: 1.2% 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: 1.47e-151 Smaller values mean stronger essential-gene similarity.

Structure confidence

ColabFold pLDDT: 94.72 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) 0.948

Structure A0A0H3GLS1

Pocket Pocket 1

Druggability (FPocket) 0.941

Structure A0A0H3GLS1

Pocket Pocket 15

ColabFold model

P2Rank 0.951 · Pocket 1

FPocket 0.844 · Pocket 4

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 57 / 4744 genomes with a hit

Prevalence 1.2%

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.

MSLLPLRRPVVSRTTYLILFACYIGICLNLAFYRQVFPLLPVNSLHNWLVFLSMPIVAISVMNILTTLASFLKLDRLVISLFILLSASAQYFIWNFGVVIDRSMITNILDTTPAESFALLSGEMIAVLGLSGVLAVFVAWWVKIRKPATRWRGAAMRLLNIAVSALLIILVAALFYKDYASVFRNNKELVKSLSPSNSIVAVNSWYAHHRMDNLPLVKIGEDATQKAVMHNAPRKNLTIVVLGETSRADNFSLGGYSRDTNPLMRQDGVIYFPHTTSCGTATAVSVPCMFSNMPRAHYDEELAHHQEGVLDILQRAGIQVLWNDNDGGCKGACDRVPHQNVTDLKLTGQCIDGECYDDVLFHNLDSYIDNLQQDGIIVLHTIGSHGPTYYNRYPAAFRKFTPTCDTNEIQGCTREQLTNTYDNTILYVDYVVDKAIKLLQSKQDKFTTSLVYLSDHGESLGEDGVYLHGLPYSIAPDTQKHVPMALWLSADYQQRYGISAHCLQQRAQKENYSQDNLFSTLLGLLGVSTREYQAADDILTPCREAG

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

3 GO

Subcellular localization

Localization: CytoplasmicMembrane

Gene Ontology (GO)

GO:0016772 Catalysis of the transfer of a phosphorus-containing group from one compound (donor) to another (acceptor).
GO:0016020 A lipid bilayer along with all the proteins and protein complexes embedded in it and attached to it.
GO:0008484 Catalysis of the reaction: RSO-R' + H2O = RSOOH + R'H. This reaction is the hydrolysis of a sulfuric ester bond, an ester formed from sulfuric acid, O=SO(OH)2.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

28 records

Show feature table

Start	End	DB	Term	Name
239	531	SUPERFAMILY	SSF53649	Alkaline phosphatase-like
239	531	InterPro	IPR017850	Alkaline-phosphatase-like, core domain superfamily
98	116	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
120	142	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
177	546	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
117	142	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
12	34	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
59	209	Pfam	PF08019	Phosphoethanolamine transferase EptA/EptB
59	209	InterPro	IPR012549	Phosphoethanolamine transferase, N-terminal
8	545	PANTHER	PTHR30443	INNER MEMBRANE PROTEIN
8	545	InterPro	IPR040423	Phosphoethanolamine transferase
238	527	Pfam	PF00884	Sulfatase
238	527	InterPro	IPR000917	Sulfatase, N-terminal
77	97	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
1	15	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
49	71	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
66	76	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
154	176	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
154	176	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
143	153	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
34	44	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
78	100	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
16	33	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
45	65	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
214	546	Gene3D	G3DSA:3.40.720.10	Alkaline Phosphatase, subunit A
214	546	InterPro	IPR017850	Alkaline-phosphatase-like, core domain superfamily
215	546	FunFam	G3DSA:3.40.720.10:FF:000022	Phosphoethanolamine transferase eptA
234	528	CDD	cd16017	LptA

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

0.948

Likely same site as FPocket 1 3.5 Å 19 shared residues 90% of smaller site

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Surrounding area

Pocket 2 P2Rank #2

0.328

Likely same site as FPocket 15 3.2 Å 10 shared residues 91% of smaller site

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Surrounding area

Pocket 3 P2Rank #3

0.166

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Surrounding area

Pocket 4 P2Rank #4

0.128

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Surrounding area

Pocket 5 P2Rank #5

0.09

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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 #15

0.941

Likely same site as P2Rank 2 3.2 Å 10 shared residues 91% of smaller site

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Surrounding area

Pocket 2 FPocket #1

0.909

Likely same site as P2Rank 1 3.5 Å 19 shared residues 90% of smaller site

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Surrounding area

Pocket 3 FPocket #6

0.203

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Surrounding area

Binding pockets · P2Rank

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

Pocket 1 P2Rank #1

0.951

Likely same site as FPocket 4 1.8 Å 20 shared residues 83% of smaller site

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Surrounding area

Pocket 2 P2Rank #2

0.329

Likely same site as FPocket 2 5.9 Å 9 shared residues 82% of smaller site

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Surrounding area

Pocket 3 P2Rank #3

0.225

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Surrounding area

Pocket 4 P2Rank #4

0.117

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Surrounding area

Pocket 5 P2Rank #5

0.09

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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 #4

0.844 Unusual size

Likely same site as P2Rank 1 1.8 Å 20 shared residues 83% of smaller site

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Surrounding area

Pocket 2 FPocket #2

0.73

Likely same site as P2Rank 2 5.9 Å 9 shared residues 82% of smaller site

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Surrounding area

Pocket 3 FPocket #27

0.65

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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_A0A0H3GLS1	AlphaFold DB	—	—	full sequence	—	Viewing
ColabFold VK055_1723	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.

35 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 31 similarity-based ZINC candidates

Best available ligand signal

3EP PDB via homolog 118.2 Da · LogP 2.53 · TPSA 0.0 Open detail RCSB PDB

DDQ PDB via homolog Detail RCSB PDB

ETA PDB via homolog Detail RCSB PDB

LXC PDB via homolog Detail RCSB PDB

ZINC1849937 ZINC proposed compound · Tanimoto 1.000 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
3EP RCSB PDB	6LI6	A0A0R6L508	118.2 Da LogP 2.53 TPSA 0.0	✓ Ro5	✓ Clean	`CCP(CC)CC`
DDQ RCSB PDB	4KAV	Q7DD94	201.4 Da LogP 3.70 TPSA 23.1	✓ Ro5	✓ Clean	`CCCCCCCCCC[N+](C)(C)[O-]`
ETA RCSB PDB	5YLE	A0A0R6L508	61.1 Da LogP -1.06 TPSA 46.2	✓ Ro5	✓ Clean	`C(CO)N`
LXC RCSB PDB	5ZJV	A0A0R6L508	150.1 Da LogP -2.58 TPSA 90.2	✓ Ro5	✓ Clean	`C1[C@@H]([C@H]([C@@H]([C@H](O1)O)O)O)O`

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
ZINC1849937 ZINC	1.000	201.4 Da LogP 3.70 TPSA 23.1	✓ Ro5	✓ Clean	`CCCCCCCCCC[N+](C)(C)[O-]`
ZINC2008702 ZINC	1.000	243.4 Da LogP 4.87 TPSA 23.1	✓ Ro5	✓ Clean	`CCCCCCCCCCCCC[N+](C)(C)[O-]`
ZINC2039372 ZINC	1.000	229.4 Da LogP 4.48 TPSA 23.1	✓ Ro5	✓ Clean	`CCCCCCCCCCCC[N+](C)(C)[O-]`
ZINC2516963 ZINC	1.000	215.4 Da LogP 4.09 TPSA 23.1	✓ Ro5	✓ Clean	`CCCCCCCCCCC[N+](C)(C)[O-]`
ZINC2560584 ZINC	0.636	206.2 Da LogP 4.03 TPSA 0.0	✓ Ro5	✓ Clean	`CCP(CC)CCP(CC)CC`
ZINC1673414 ZINC	0.600	228.4 Da LogP 4.61 TPSA 0.0	✓ Ro5	✓ Clean	`CCCCCCCCCCCC[N+](C)(C)C`
ZINC1700269 ZINC	0.600	200.4 Da LogP 3.83 TPSA 0.0	✓ Ro5	✓ Clean	`CCCCCCCCCC[N+](C)(C)C`
ZINC255980408 ZINC	0.577	414.4 Da LogP -5.66 TPSA 208.0	2 viol.	✓ Clean	`O[C@H]1OC[C@@H](O[C@H]2OC[C@@H](O[C@H]3OC[C@@H]…`
ZINC255980409 ZINC	0.577	414.4 Da LogP -5.66 TPSA 208.0	2 viol.	✓ Clean	`O[C@H]1OC[C@@H](O[C@H]2OC[C@@H](O[C@H]3OC[C@@H]…`
ZINC255980410 ZINC	0.577	414.4 Da LogP -5.66 TPSA 208.0	2 viol.	✓ Clean	`O[C@@H]1[C@H](O)[C@@H](O[C@@H]2CO[C@H](O[C@@H]3…`
ZINC255980411 ZINC	0.577	414.4 Da LogP -5.66 TPSA 208.0	2 viol.	✓ Clean	`O[C@H]1OC[C@@H](O[C@H]2OC[C@@H](O[C@H]3OC[C@@H]…`
ZINC263584059 ZINC	0.577	414.4 Da LogP -5.66 TPSA 208.0	2 viol.	✓ Clean	`O[C@@H]1[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]…`
ZINC263584060 ZINC	0.577	414.4 Da LogP -5.66 TPSA 208.0	2 viol.	✓ Clean	`O[C@H]1[C@H](O)[C@@H](O[C@@H]2CO[C@@H](O)[C@H](…`
ZINC263584061 ZINC	0.577	414.4 Da LogP -5.66 TPSA 208.0	2 viol.	✓ Clean	`O[C@@H]1[C@@H](O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2…`
ZINC4095690 ZINC	0.577	282.2 Da LogP -4.12 TPSA 149.1	1 viol.	✓ Clean	`O[C@H]1[C@H](O)CO[C@@H](O[C@@H]2CO[C@H](O)[C@H]…`
ZINC4095691 ZINC	0.577	282.2 Da LogP -4.12 TPSA 149.1	1 viol.	✓ Clean	`O[C@H]1[C@H](O)CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H…`
ZINC64622127 ZINC	0.577	414.4 Da LogP -5.66 TPSA 208.0	2 viol.	✓ Clean	`O[C@H]1[C@H](O)CO[C@@H](O[C@@H]2CO[C@@H](O[C@@H…`
ZINC78590548 ZINC	0.577	414.4 Da LogP -5.66 TPSA 208.0	2 viol.	✓ Clean	`O[C@H]1[C@H](O)CO[C@@H](O[C@@H]2CO[C@@H](O[C@@H…`
ZINC85546060 ZINC	0.577	414.4 Da LogP -5.66 TPSA 208.0	2 viol.	✓ Clean	`O[C@H]1[C@H](O)[C@@H](O[C@@H]2CO[C@@H](O)[C@H](…`
ZINC100991279 ZINC	0.548	314.5 Da LogP 4.38 TPSA 52.2	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)NCCCC[N+](C)(C)[O-]`
ZINC1670600 ZINC	0.545	201.4 Da LogP 3.08 TPSA 26.0	✓ Ro5	✓ Clean	`CCCCCCCCCC[N+](C)(C)N`
ZINC59314569 ZINC	0.545	229.4 Da LogP 3.86 TPSA 26.0	✓ Ro5	✓ Clean	`CCCCCCCCCCCC[N+](C)(C)N`
ZINC2559890 ZINC	0.538	220.3 Da LogP 4.42 TPSA 0.0	✓ Ro5	✓ Clean	`CCP(CC)CCCP(CC)CC`
ZINC163821152 ZINC	0.516	272.4 Da LogP 3.21 TPSA 52.2	✓ Ro5	✓ Clean	`CCCCCCCCCC(=O)NCCC[N+](C)(C)[O-]`
ZINC53683257 ZINC	0.516	300.5 Da LogP 3.99 TPSA 52.2	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-]`
ZINC100082001 ZINC	0.500	312.3 Da LogP -5.37 TPSA 180.3	1 viol.	✓ Clean	`O[C@@H]1[C@H](O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O…`
ZINC112977758 ZINC	0.500	244.5 Da LogP 3.13 TPSA 0.0	✓ Ro5	✓ Clean	`CCCCCCC[N+](C)(C)CCC[N+](C)(C)C`
ZINC2385445 ZINC	0.500	201.4 Da LogP 2.84 TPSA 46.2	✓ Ro5	✓ Clean	`NCCCCCCCCCCCCO`
ZINC25722093 ZINC	0.500	281.3 Da LogP -4.55 TPSA 151.9	1 viol.	✓ Clean	`O[C@H]1[C@H](O)CO[C@@H](N[C@@H]2OC[C@@H](O)[C@H…`
ZINC2900787 ZINC	0.500	228.4 Da LogP 4.61 TPSA 0.0	✓ Ro5	✓ Clean	`CCCCCCCCC[N+](CC)(CC)CC`
ZINC34196183 ZINC	0.500	229.4 Da LogP 3.62 TPSA 46.2	✓ Ro5	✓ Clean	`NCCCCCCCCCCCCCCO`

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 A0A0H3GLS1