KpATCC43816 Protein target profile

alpha/beta hydrolase family protein

Accession: VK055_5134

Gene: AIK83658.1 3D evidence: AlphaFold DB model + ColabFold model Metabolism Not in network UniProt A0A0H3GQJ2

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Length 540

Pocket druggability (P2Rank · AlphaFold DB model) 0.905

Direct ligand evidence 0 55 total records

Functional annotation 0 EC 0 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 0.91. Structure available AlphaFold DB model + ColabFold model 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: 1.1% 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: 89.13 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) 0.905

Structure A0A0H3GQJ2

Pocket Pocket 1

Druggability (FPocket) 0.949

Structure A0A0H3GQJ2

Pocket Pocket 1

ColabFold model

P2Rank 0.916 · Pocket 1

FPocket 0.994 · Pocket 2

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 54 / 4744 genomes with a hit

Prevalence 1.1%

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.

MKHLFRHWRTSGAVIGSLLKKGSIAVLALLVVFLAGRIYESQRGPALHRWHTWSGNEMSAEEIDQATFAQYLAREKTIFADLQREVTEALPEEDKTPVNRFYRHSRVWPGQFKQDWNRSFVLLPLGKPRGSVVLLHGLTDSPYSVRYLAQLWQQRGYVAVAPRLPGHGTAPGALTAVDWETWLAATRLAVREATRLAGADVPLHLVGYSNGGALALKYALDSLEDNHLRQPQQIILLSPMIGVTAFARFAGLAGLPSVFPAFARAAWLNVAPEFNPFKYNSFPVKAARQSWLLSQALQQQIIRAARQGELKALPPILTFQSVMDSTVSTRAVVESLYRYLPDNGSELVVFDINQAADLRVLFRPALYAAVNTLLPPAPRAYTTTVVTNATAHTLQTVARTTLAQDREEHRYPLHLAWPADMYSLSHVAVPFPLSDSLYGREPDEKNRYGISLGTISLRGETGTLSVGLETLMRVTSNPFFPWMMTRVDERIACGEQAAVAACLKAQARAEALKQDQVQNGTQQDADDRRGSHEAEQADKP

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

Subcellular localization

Localization: Unknown

No GO or EC annotations are currently loaded for this protein.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

13 records

Show feature table

Start	End	DB	Term	Name
122	356	Gene3D	G3DSA:3.40.50.1820	alpha/beta hydrolase
122	356	InterPro	IPR029058	Alpha/Beta hydrolase fold
1	20	Phobius	CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the cytoplasm.
511	540	MobiDBLite	mobidb-lite	consensus disorder prediction
112	337	PANTHER	PTHR11614	PHOSPHOLIPASE-RELATED
40	540	Phobius	NON_CYTOPLASMIC_DOMAIN	Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
127	250	Pfam	PF12146	Serine aminopeptidase, S33
127	250	InterPro	IPR022742	Serine aminopeptidase, S33
13	35	TMHMM	TMhelix	Region of a membrane-bound protein predicted to be embedded in the membrane.
525	540	MobiDBLite	mobidb-lite	consensus disorder prediction
21	39	Phobius	TRANSMEMBRANE	Region of a membrane-bound protein predicted to be embedded in the membrane.
124	351	SUPERFAMILY	SSF53474	alpha/beta-Hydrolases
124	351	InterPro	IPR029058	Alpha/Beta hydrolase fold

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

0.905

Likely same site as FPocket 1 1.0 Å 27 shared residues 100% of smaller site

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Surrounding area

Pocket 2 P2Rank #2

0.158

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Surrounding area

Pocket 3 P2Rank #3

0.122

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Surrounding area

Pocket 4 P2Rank #4

0.102

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Surrounding area

Pocket 5 P2Rank #5

0.049

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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 #1

0.949 Unusual size

Likely same site as P2Rank 1 1.0 Å 27 shared residues 100% of smaller site

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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

0.916

Likely same site as FPocket 2 4.5 Å 31 shared residues 97% of smaller site

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Surrounding area

Pocket 2 P2Rank #2

0.323

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Surrounding area

Pocket 3 P2Rank #3

0.073

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Surrounding area

Pocket 4 P2Rank #4

0.065

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Surrounding area

Pocket 5 P2Rank #5

0.032

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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

0.994 Unusual size

Likely same site as P2Rank 1 4.5 Å 31 shared residues 97% of smaller site

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Surrounding area

Pocket 2 FPocket #1

0.309

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Surrounding area

Pocket 3 FPocket #29

0.292

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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_A0A0H3GQJ2	AlphaFold DB	—	—	full sequence	—	Viewing
ColabFold VK055_5134	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.

55 records

Chemistry signal

Structural ligand evidence is available for this target.

Direct evidence 0 same-protein records

Transferred evidence 5 records from similar proteins

Structural ligands 5 0 loaded crystals

Measured bioactivity 0 direct and transferred ChEMBL records

Proposed compounds 50 similarity-based ZINC candidates

Best available ligand signal

1QW PDB via homolog 274.4 Da · LogP 2.80 · TPSA 66.8 Open detail RCSB PDB

1QX PDB via homolog Detail RCSB PDB

1QY PDB via homolog Detail RCSB PDB

1R1 PDB via homolog Detail RCSB PDB

PMS PDB via homolog Detail RCSB PDB

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
1QW RCSB PDB	4KE6	P82597	274.4 Da LogP 2.80 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)OC[C@@H](CO)O`
1QX RCSB PDB	4KE7	P82597	333.4 Da LogP 5.81 TPSA 95.3	1 viol.	Alert	`CCCCCCCCCCCCOP(=O)(CCCN=[N+]=[N-])O`
1QY RCSB PDB	4KE8	P82597	361.5 Da LogP 6.59 TPSA 95.3	1 viol.	Alert	`CCCCCCCCCCCCCCO[P@@](=O)(CCCN=[N+]=[N-])O`
1R1 RCSB PDB	4KE9	P82597	389.5 Da LogP 7.37 TPSA 95.3	1 viol.	Alert	`CCCCCCCCCCCCCCCCOP(=O)(CCCN=[N+]=[N-])O`
PMS RCSB PDB	3RLI	P82597	172.2 Da LogP 1.07 TPSA 54.4	✓ Ro5	✓ Clean	`c1ccc(cc1)CS(=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
ZINC100297583 ZINC	1.000	232.3 Da LogP 1.63 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCCCCC(=O)OC[C@@H](O)CO`
ZINC100503477 ZINC	1.000	260.4 Da LogP 2.41 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCCCCCCC(=O)OC[C@H](O)CO`
ZINC100503478 ZINC	1.000	260.4 Da LogP 2.41 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCCCCCCC(=O)OC[C@@H](O)CO`
ZINC2516268 ZINC	1.000	218.3 Da LogP 1.24 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCCCC(=O)OC[C@H](O)CO`
ZINC2516269 ZINC	1.000	246.3 Da LogP 2.02 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCCCCCC(=O)OC[C@H](O)CO`
ZINC2568190 ZINC	1.000	232.3 Da LogP 1.63 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCCCCC(=O)OC[C@H](O)CO`
ZINC32840883 ZINC	1.000	302.5 Da LogP 3.58 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC(=O)OC[C@@H](O)CO`
ZINC32840884 ZINC	1.000	302.5 Da LogP 3.58 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCC(=O)OC[C@H](O)CO`
ZINC32840889 ZINC	1.000	316.5 Da LogP 3.97 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO`
ZINC32840890 ZINC	1.000	316.5 Da LogP 3.97 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCC(=O)OC[C@H](O)CO`
ZINC32840891 ZINC	1.000	330.5 Da LogP 4.36 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO`
ZINC32840892 ZINC	1.000	330.5 Da LogP 4.36 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO`
ZINC38153421 ZINC	1.000	246.3 Da LogP 2.02 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCCCCCC(=O)OC[C@@H](O)CO`
ZINC72400435 ZINC	1.000	344.5 Da LogP 4.75 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO`
ZINC77313111 ZINC	1.000	344.5 Da LogP 4.75 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO`
ZINC8437476 ZINC	1.000	274.4 Da LogP 2.80 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)OC[C@H](O)CO`
ZINC8437478 ZINC	1.000	274.4 Da LogP 2.80 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCCCCCCCC(=O)OC[C@@H](O)CO`
ZINC8674155 ZINC	1.000	218.3 Da LogP 1.24 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCCCC(=O)OC[C@@H](O)CO`
ZINC95669489 ZINC	1.000	288.4 Da LogP 3.19 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCCCCCCCCC(=O)OC[C@H](O)CO`
ZINC95669491 ZINC	1.000	288.4 Da LogP 3.19 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCCCCCCCCC(=O)OC[C@@H](O)CO`
ZINC4411080 ZINC	0.875	374.6 Da LogP 4.12 TPSA 87.0	✓ Ro5	✓ Clean	`CCCCCC[C@H](O)CCCCCCCCCCC(=O)OC[C@H](O)CO`
ZINC4411082 ZINC	0.875	374.6 Da LogP 4.12 TPSA 87.0	✓ Ro5	✓ Clean	`CCCCCC[C@@H](O)CCCCCCCCCCC(=O)OC[C@H](O)CO`
ZINC4411083 ZINC	0.875	374.6 Da LogP 4.12 TPSA 87.0	✓ Ro5	✓ Clean	`CCCCCC[C@H](O)CCCCCCCCCCC(=O)OC[C@@H](O)CO`
ZINC4411084 ZINC	0.875	374.6 Da LogP 4.12 TPSA 87.0	✓ Ro5	✓ Clean	`CCCCCC[C@@H](O)CCCCCCCCCCC(=O)OC[C@@H](O)CO`
ZINC95866539 ZINC	0.875	432.6 Da LogP 4.52 TPSA 96.2	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)COC[C@H](O)CO`
ZINC95866540 ZINC	0.875	432.6 Da LogP 4.52 TPSA 96.2	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COC[C@H](O)CO`
ZINC95866542 ZINC	0.875	432.6 Da LogP 4.52 TPSA 96.2	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)COC[C@@H](O)CO`
ZINC95866544 ZINC	0.875	432.6 Da LogP 4.52 TPSA 96.2	✓ Ro5	✓ Clean	`CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COC[C@@H](O)CO`
ZINC85603366 ZINC	0.828	344.5 Da LogP 4.15 TPSA 72.8	✓ Ro5	✓ Clean	`CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC`
ZINC1501016272 ZINC	0.824	328.5 Da LogP 4.14 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCCC/C=C\CCCCCCC(=O)OC[C@H](O)CO`
ZINC1501016273 ZINC	0.824	328.5 Da LogP 4.14 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCCC/C=C\CCCCCCC(=O)OC[C@@H](O)CO`
ZINC1501016315 ZINC	0.824	314.5 Da LogP 3.75 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCC/C=C\CCCCCCC(=O)OC[C@@H](O)CO`
ZINC1501016316 ZINC	0.824	314.5 Da LogP 3.75 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCC/C=C\CCCCCCC(=O)OC[C@H](O)CO`
ZINC2038077522 ZINC	0.824	356.5 Da LogP 4.92 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCCCCC=CCCCCCCCC(=O)OC[C@@H](O)CO`
ZINC2038077523 ZINC	0.824	356.5 Da LogP 4.92 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCCCCC=CCCCCCCCC(=O)OC[C@H](O)CO`
ZINC221534416 ZINC	0.824	328.5 Da LogP 4.14 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCCCC/C=C\CCCCCC(=O)OC[C@@H](O)CO`
ZINC32840893 ZINC	0.824	328.5 Da LogP 4.14 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CO`
ZINC32840894 ZINC	0.824	328.5 Da LogP 4.14 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](O)CO`
ZINC32840895 ZINC	0.824	328.5 Da LogP 4.14 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)CO`
ZINC32840896 ZINC	0.824	328.5 Da LogP 4.14 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCC/C=C/CCCCCCCC(=O)OC[C@H](O)CO`
ZINC32840901 ZINC	0.824	356.5 Da LogP 4.92 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CO`
ZINC32840902 ZINC	0.824	356.5 Da LogP 4.92 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](O)CO`
ZINC32840903 ZINC	0.824	356.5 Da LogP 4.92 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)CO`
ZINC32840904 ZINC	0.824	356.5 Da LogP 4.92 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](O)CO`
ZINC725433050 ZINC	0.824	342.5 Da LogP 4.53 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCCCC/C=C\CCCCCCC(=O)OC[C@@H](O)CO`
ZINC725433052 ZINC	0.824	342.5 Da LogP 4.53 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCCCC/C=C\CCCCCCC(=O)OC[C@H](O)CO`
ZINC98208566 ZINC	0.824	328.5 Da LogP 4.14 TPSA 66.8	✓ Ro5	✓ Clean	`CCCCCCCC/C=C\CCCCCC(=O)OC[C@H](O)CO`
ZINC85808798 ZINC	0.818	290.4 Da LogP 1.77 TPSA 87.0	✓ Ro5	✓ Clean	`CCCCCCC[C@H](O)CCCC(=O)OC[C@H](O)CO`
ZINC85808802 ZINC	0.818	290.4 Da LogP 1.77 TPSA 87.0	✓ Ro5	✓ Clean	`CCCCCCC[C@@H](O)CCCC(=O)OC[C@H](O)CO`
ZINC85808811 ZINC	0.818	290.4 Da LogP 1.77 TPSA 87.0	✓ Ro5	✓ Clean	`CCCCCCC[C@H](O)CCCC(=O)OC[C@@H](O)CO`

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 A0A0H3GQJ2