KpATCC43816 Protein target profile

tannase and feruloyl esterase family protein

Accession: VK055_3020

Gene: AIK81605.1 3D evidence: ColabFold model Metabolism Not in network

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Length 524

Pocket druggability (P2Rank · ColabFold model) 0.8

Direct ligand evidence 0 54 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 0.80. Structure available 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: 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: 93.02 0-100 confidence; >70 supports local structural interpretation.

Binding-site evidence

ColabFold / curated 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) 0.8

Structure CB_VK055_3020

Pocket Pocket 1

Druggability (FPocket) 0.85

Structure CB_VK055_3020

Pocket Pocket 20

ColabFold model

P2Rank 0.8 · Pocket 1

FPocket 0.85 · Pocket 20

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 3 / 4744 genomes with a hit

Prevalence 0.1%

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.

MQTSAQGSWCKVSATIAPEIGVQIALPTQRWSQRFLQVGCGGLCGSINLSLSNACGCLPAMNGEFVVAATDMGHHGSMMDASWAEDPQKRIDFAWRANHLTAVLAKAVMQTLYRQPPKYAYFMGCSDGGREALMEAQRFPQDFDGISAGAPAAFFQFQNSFFHGWNVAANQRPDGTAILLKNRLPLIHQAVLAHCPTLSGVQDGILQNPYACQFSESWLPRCPADARDRSTCLTQEEIEVVKKLYRGAYDSHGAQFVAGGLPLGSELRWPVPETPTGHSMSEMMVLPALQSVLLPGEKQKIQSMRDFPLNQQNFDAVAQLAPLYNAANTNLHAYQQRGGKLILWHGLADDSVSPAFSIAYYRGVEAEMGHAATDTFLRLFLLPGVAHCGNGEGYDQIDLLTPLMRWTEEGIAPQEIMAGKRATAAADLPPMTEKPDAQTQFHGVQKVSQPYADAAPAVIATRPVYPFPAIARYNGRGDVNDGENYHAEQTSAFGHLQLAKPASDYIGPDNQKNYQVRHGTLTVQ

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

Subcellular localization

Localization: Periplasmic

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.

10 records

Show feature table

Start	End	DB	Term	Name
3	489	PANTHER	PTHR33938	FERULOYL ESTERASE B-RELATED
3	489	InterPro	IPR011118	Tannase/feruloyl esterase
41	408	Gene3D	G3DSA:3.40.50.1820	alpha/beta hydrolase
41	408	InterPro	IPR029058	Alpha/Beta hydrolase fold
504	524	MobiDBLite	mobidb-lite	consensus disorder prediction
60	410	SUPERFAMILY	SSF53474	alpha/beta-Hydrolases
60	410	InterPro	IPR029058	Alpha/Beta hydrolase fold
10	486	Pfam	PF07519	Tannase and feruloyl esterase
10	486	InterPro	IPR011118	Tannase/feruloyl esterase
508	524	MobiDBLite	mobidb-lite	consensus disorder prediction

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

0.8

Likely same site as FPocket 2 1.1 Å 28 shared residues 100% of smaller site

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Surrounding area

Pocket 2 P2Rank #2

0.515

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Surrounding area

Pocket 3 P2Rank #3

0.471

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Surrounding area

Pocket 4 P2Rank #4

0.291

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Surrounding area

Pocket 5 P2Rank #5

0.018

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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 #20

0.85 Unusual size

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Surrounding area

Pocket 2 FPocket #2

0.371 Unusual size

Likely same site as P2Rank 1 1.1 Å 28 shared residues 100% of smaller site

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Surrounding area

All structural evidence 0 experimental · 1 predicted

Structural evidence

0 + 1

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
ColabFold VK055_3020	ColabFold	—	—	full sequence	—	Viewing

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.

54 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 50 similarity-based ZINC candidates

Best available ligand signal

BEZ PDB via homolog 122.1 Da · LogP 1.38 · TPSA 37.3 Open detail RCSB PDB

C8X PDB via homolog Detail RCSB PDB

C9C PDB via homolog Detail RCSB PDB

J1K PDB via homolog Detail RCSB PDB

ZINC2040111 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
BEZ RCSB PDB	6QGB	A0A0K8P8E7	122.1 Da LogP 1.38 TPSA 37.3	✓ Ro5	✓ Clean	`c1ccc(cc1)C(=O)O`
C8X RCSB PDB	6JTT	A0A0K8P8E7	254.2 Da LogP -0.02 TPSA 93.1	✓ Ro5	✓ Clean	`c1cc(ccc1C(=O)OCCO)C(=O)OCCO`
C9C RCSB PDB	6JTT	A0A0K8P8E7	210.2 Da LogP 0.53 TPSA 83.8	✓ Ro5	✓ Clean	`c1cc(ccc1C(=O)O)C(=O)OCCO`
J1K RCSB PDB	6QGA	A0A0K8P8E7	209.2 Da LogP 0.11 TPSA 86.6	✓ Ro5	✓ Clean	`c1cc(ccc1C(=O)NCCO)C(=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
ZINC2040111 ZINC	1.000	254.2 Da LogP -0.02 TPSA 93.1	✓ Ro5	✓ Clean	`O=C(OCCO)c1ccc(C(=O)OCCO)cc1`
ZINC1562170 ZINC	0.833	252.3 Da LogP -0.87 TPSA 98.7	✓ Ro5	✓ Clean	`O=C(NCCO)c1ccc(C(=O)NCCO)cc1`
ZINC4979133 ZINC	0.833	210.2 Da LogP 0.53 TPSA 83.8	✓ Ro5	✓ Clean	`O=C(O)c1ccc(C(=O)OCCO)cc1`
ZINC3269660 ZINC	0.824	254.2 Da LogP 2.45 TPSA 71.4	✓ Ro5	Alert	`O=C(O)c1ccc(C(=O)C(=O)c2ccccc2)cc1`
ZINC2379611 ZINC	0.800	224.2 Da LogP 0.62 TPSA 72.8	✓ Ro5	✓ Clean	`COC(=O)c1ccc(C(=O)OCCO)cc1`
ZINC33949336 ZINC	0.800	402.4 Da LogP 1.55 TPSA 136.4	✓ Ro5	✓ Clean	`O=C(O)c1ccc(C(=O)OCCOC(=O)c2ccc(C(=O)OCCO)cc2)c…`
ZINC39189039 ZINC	0.800	298.3 Da LogP 0.00 TPSA 102.3	✓ Ro5	✓ Clean	`O=C(OCCO)c1ccc(C(=O)OCCOCCO)cc1`
ZINC2504355 ZINC	0.778	226.2 Da LogP 2.62 TPSA 54.4	✓ Ro5	✓ Clean	`O=C(O)c1ccc(C(=O)c2ccccc2)cc1`
ZINC329788126 ZINC	0.769	390.4 Da LogP 1.44 TPSA 111.5	✓ Ro5	✓ Clean	`O=C(OCCO)c1ccc(OCCOc2ccc(C(=O)OCCO)cc2)cc1`
ZINC221709989 ZINC	0.741	394.4 Da LogP 0.82 TPSA 127.2	✓ Ro5	✓ Clean	`O=C(OCCO)c1ccc(S(=O)(=O)c2ccc(C(=O)OCCO)cc2)cc1`
ZINC3171580 ZINC	0.741	270.3 Da LogP 2.07 TPSA 63.6	✓ Ro5	✓ Clean	`O=C(OCCO)c1ccc(C(=O)c2ccccc2)cc1`
ZINC1811676 ZINC	0.724	297.3 Da LogP 1.47 TPSA 83.5	✓ Ro5	Alert	`O=C(NCCO)c1ccc(C(=O)C(=O)c2ccccc2)cc1`
ZINC95917658 ZINC	0.720	310.3 Da LogP 1.55 TPSA 93.1	✓ Ro5	✓ Clean	`O=C(OCCCCO)c1ccc(C(=O)OCCCCO)cc1`
ZINC2057629 ZINC	0.700	241.3 Da LogP 2.08 TPSA 49.3	✓ Ro5	✓ Clean	`O=C(NCCO)c1ccc(-c2ccccc2)cc1`
ZINC113189777 ZINC	0.692	254.2 Da LogP -0.02 TPSA 93.1	✓ Ro5	✓ Clean	`O=C(OCCO)c1cccc(C(=O)OCCO)c1`
ZINC1765878 ZINC	0.690	244.1 Da LogP 1.17 TPSA 49.3	✓ Ro5	✓ Clean	`O=C(NCCO)c1ccc(Br)cc1`
ZINC2051688 ZINC	0.690	291.1 Da LogP 1.01 TPSA 49.3	✓ Ro5	✓ Clean	`O=C(NCCO)c1ccc(I)cc1`
ZINC35085169 ZINC	0.690	207.2 Da LogP 1.52 TPSA 66.4	✓ Ro5	✓ Clean	`CCCNC(=O)c1ccc(C(=O)O)cc1`
ZINC1672966 ZINC	0.688	210.2 Da LogP 2.75 TPSA 34.1	✓ Ro5	Alert	`O=C(C(=O)c1ccccc1)c1ccccc1`
ZINC34057267 ZINC	0.684	274.3 Da LogP 4.72 TPSA 37.3	✓ Ro5	✓ Clean	`O=C(O)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1`
ZINC3016774 ZINC	0.667	344.4 Da LogP 0.92 TPSA 107.9	✓ Ro5	✓ Clean	`O=C(NCCO)c1ccc(Oc2ccc(C(=O)NCCO)cc2)cc1`
ZINC36746656 ZINC	0.667	250.3 Da LogP 0.25 TPSA 95.5	✓ Ro5	✓ Clean	`CC(=O)NCCNC(=O)c1ccc(C(=O)O)cc1`
ZINC5046384 ZINC	0.655	226.2 Da LogP 0.56 TPSA 76.0	✓ Ro5	✓ Clean	`O=C(OCCOCCO)c1ccc(O)cc1`
ZINC114185151 ZINC	0.647	298.2 Da LogP 2.15 TPSA 108.7	✓ Ro5	Alert	`O=C(O)c1ccc(C(=O)C(=O)c2ccc(C(=O)O)cc2)cc1`
ZINC1590838 ZINC	0.647	342.4 Da LogP 3.82 TPSA 68.3	✓ Ro5	Alert	`O=C(C(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1)c1ccccc1`
ZINC16133932 ZINC	0.647	474.5 Da LogP 4.88 TPSA 102.4	✓ Ro5	Alert	`O=C(C(=O)c1ccc(C(=O)C(=O)c2ccc(C(=O)C(=O)c3cccc…`
ZINC255190219 ZINC	0.645	280.3 Da LogP 0.38 TPSA 93.1	✓ Ro5	✓ Clean	`O=C(/C=C/c1ccc(C(=O)OCCO)cc1)OCCO`
ZINC35085194 ZINC	0.645	221.3 Da LogP 1.91 TPSA 66.4	✓ Ro5	✓ Clean	`CCCCNC(=O)c1ccc(C(=O)O)cc1`
ZINC35347395 ZINC	0.645	223.2 Da LogP 0.76 TPSA 75.6	✓ Ro5	✓ Clean	`COCCNC(=O)c1ccc(C(=O)O)cc1`
ZINC63101997 ZINC	0.645	261.2 Da LogP 2.07 TPSA 66.4	✓ Ro5	✓ Clean	`O=C(O)c1ccc(C(=O)NCCC(F)(F)F)cc1`
ZINC95956068 ZINC	0.645	223.3 Da LogP 1.29 TPSA 49.8	✓ Ro5	✓ Clean	`CCN(C)c1ccc(C(=O)OCCO)cc1`
ZINC31298097 ZINC	0.643	458.5 Da LogP 3.11 TPSA 136.4	✓ Ro5	✓ Clean	`O=C(O)c1ccc(C(=O)OCCCCOC(=O)c2ccc(C(=O)OCCCCO)c…`
ZINC82104103 ZINC	0.643	238.2 Da LogP 1.31 TPSA 83.8	✓ Ro5	✓ Clean	`O=C(O)c1ccc(C(=O)OCCCCO)cc1`
ZINC112963478 ZINC	0.640	358.3 Da LogP 2.10 TPSA 127.2	✓ Ro5	✓ Clean	`O=C(O)c1ccc(C(=O)OCCOC(=O)c2ccc(C(=O)O)cc2)cc1`
ZINC34155969 ZINC	0.640	300.3 Da LogP 1.86 TPSA 104.6	✓ Ro5	✓ Clean	`Nc1ccc(C(=O)OCCOC(=O)c2ccc(N)cc2)cc1`
ZINC35347662 ZINC	0.636	250.3 Da LogP 1.07 TPSA 69.6	✓ Ro5	✓ Clean	`CN(C)CCCNC(=O)c1ccc(C(=O)O)cc1`
ZINC8193961 ZINC	0.636	257.3 Da LogP 2.20 TPSA 58.6	✓ Ro5	✓ Clean	`O=C(NCCO)c1ccc(Oc2ccccc2)cc1`
ZINC2383328903 ZINC	0.633	270.2 Da LogP -0.31 TPSA 113.3	✓ Ro5	✓ Clean	`O=C(OCCO)c1ccc(C(=O)OCCO)c(O)c1`
ZINC2468869 ZINC	0.630	339.3 Da LogP -2.15 TPSA 148.0	1 viol.	✓ Clean	`O=C(NCCO)c1cc(C(=O)NCCO)cc(C(=O)NCCO)c1`
ZINC12019935 ZINC	0.625	235.3 Da LogP 2.10 TPSA 49.3	✓ Ro5	✓ Clean	`CC(C)(C)c1ccc(C(=O)NCCCO)cc1`
ZINC35085188 ZINC	0.625	235.3 Da LogP 2.16 TPSA 66.4	✓ Ro5	✓ Clean	`CC(C)CCNC(=O)c1ccc(C(=O)O)cc1`
ZINC35100930 ZINC	0.625	208.3 Da LogP 0.47 TPSA 52.6	✓ Ro5	✓ Clean	`CN(C)c1ccc(C(=O)NCCO)cc1`
ZINC35347405 ZINC	0.625	236.3 Da LogP 0.68 TPSA 69.6	✓ Ro5	✓ Clean	`CN(C)CCNC(=O)c1ccc(C(=O)O)cc1`
ZINC37660833 ZINC	0.625	250.3 Da LogP 0.38 TPSA 109.5	✓ Ro5	✓ Clean	`NC(=O)CCCNC(=O)c1ccc(C(=O)O)cc1`
ZINC1696992 ZINC	0.621	210.2 Da LogP 0.85 TPSA 55.8	✓ Ro5	✓ Clean	`O=C(OCCOCCO)c1ccccc1`
ZINC12336511 ZINC	0.618	234.3 Da LogP 1.01 TPSA 52.6	✓ Ro5	✓ Clean	`O=C(NCCO)c1ccc(N2CCCC2)cc1`
ZINC34650471 ZINC	0.615	386.4 Da LogP 2.27 TPSA 105.2	✓ Ro5	✓ Clean	`COC(=O)c1ccc(C(=O)OCCOC(=O)c2ccc(C(=O)OC)cc2)cc1`
ZINC5846754 ZINC	0.615	254.2 Da LogP -0.02 TPSA 93.1	✓ Ro5	✓ Clean	`O=C(OCCO)c1ccccc1C(=O)OCCO`
ZINC2028408 ZINC	0.613	216.6 Da LogP 1.19 TPSA 66.8	✓ Ro5	✓ Clean	`O=C(OCCO)c1ccc(O)c(Cl)c1`
ZINC5046451 ZINC	0.613	308.1 Da LogP 1.15 TPSA 66.8	✓ Ro5	✓ Clean	`O=C(OCCO)c1ccc(O)c(I)c1`

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.