KpKP13 Protein target profile

putative tannase/feruloyl esterase

Accession: KP13_31594

Gene: AHE46861.1 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A0H3GL12
Length 586
Pocket druggability (P2Rank · AlphaFold DB model) 0.917
Direct ligand evidence 0 54 total records
Functional annotation 0 EC 2 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.

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
90.87 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) 0.917
Structure A0A0H3GL12
Pocket Pocket 1
Druggability (FPocket) 0.717
Structure A0A0H3GL12
Pocket Pocket 2
ColabFold model
P2Rank 0.88 · Pocket 1
FPocket 0.539 · Pocket 15
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 3 / 4744 genomes with a hit
Prevalence 0.1%

Sequence

Primary amino-acid sequence viewer.

MTRLLKTILPIILCALFGLSFASPTQAVASLPIVLPALTCDALSATDFSAAVGAKVTINHTEMQTSAQGSWCKVSATIAPEIGVQIALPTQRWSQRFLQVGCGGLCGSINLSLSNASGCLPAMNGEFVVAATDMGHHGSMMDASWAEDPQKRIDFAWRANHLTAVLAKAVMQTLYRQPPKYAYFMGCSDGGREALMEAQRFPQDFDGISAGAPAAFFQFQNSFFHGWNVAANQRPDGTAILLKNRLPLIHQAVLAHCPTLSGVQDGILQNPYACQFSESWLPRCPADARDRSTCLTQEEIEVVKKLYRGAYDSHGAQFVAGGLPLGSELRWPVPETPTGHSMSEMMVLPALQSVLLPGEKQKIQSMRDFPLNQQNFDAVAQLAPLYNAANTNLHAYQQRGGKLILWHGLADDSVSPAFSIAYYRGVEAEMGHAATDTFLRLFLLPGVAHCGNGEGYDQIDLLTPLMRWTEEGIAPQEIMAGKRATAAADLPPMTEKPDAQTQFHGVQKVSQPYADAAPAVIATRPVYPFPAIARYNGRGDVNDGENYHAEQPTAFGHLQLAKPASDYIGPDNQKNYQVRHGTLTVQ

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

2 GO

Subcellular localization

Localization
Periplasmic

Gene Ontology (GO)

2
  • GO:0052689 Catalysis of the hydrolysis of a carboxylic ester bond.
  • GO:0046872 Binding to a metal ion.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

18 records
Show feature table
Start End DB Term Name
28 586 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1 7 Phobius SIGNAL_PEPTIDE_N_REGION N-terminal region of a signal peptide.
1 22 SignalP_EUK SignalP-noTM SignalP-noTM
1 29 SignalP_GRAM_POSITIVE SignalP-TM SignalP-TM
25 553 PANTHER PTHR33938 FERULOYL ESTERASE B-RELATED
25 553 InterPro IPR011118 Tannase/feruloyl esterase
562 586 MobiDBLite mobidb-lite consensus disorder prediction
7 29 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
72 548 Pfam PF07519 Tannase and feruloyl esterase
72 548 InterPro IPR011118 Tannase/feruloyl esterase
102 469 Gene3D G3DSA:3.40.50.1820 alpha/beta hydrolase
102 469 InterPro IPR029058 Alpha/Beta hydrolase fold
20 27 Phobius SIGNAL_PEPTIDE_C_REGION C-terminal region of a signal peptide.
570 586 MobiDBLite mobidb-lite consensus disorder prediction
8 19 Phobius SIGNAL_PEPTIDE_H_REGION Hydrophobic region of a signal peptide.
119 471 SUPERFAMILY SSF53474 alpha/beta-Hydrolases
119 471 InterPro IPR029058 Alpha/Beta hydrolase fold
1 27 Phobius SIGNAL_PEPTIDE Signal peptide region

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
0.917
Likely same site as FPocket 1 4.3 Å 26 shared residues 96% of smaller site
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Surrounding area
Pocket 2 P2Rank #2
0.731
Likely same site as FPocket 2 1.4 Å 13 shared residues 93% of smaller site
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Surrounding area
Pocket 3 P2Rank #3
0.316
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Surrounding area
Pocket 4 P2Rank #4
0.055
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Surrounding area
Pocket 5 P2Rank #5
0.048
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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
0.717
Likely same site as P2Rank 2 1.4 Å 13 shared residues 93% of smaller site
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Surrounding area
Pocket 2 FPocket #1
0.308 Unusual size
Likely same site as P2Rank 1 4.3 Å 26 shared residues 96% of smaller site
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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_A0A0H3GL12
AlphaFold DB full sequence Viewing
ColabFold KP13_31594
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.

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

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.

Show only:
Ligand Source crystal UniProt (homolog) MW · LogP · TPSA Lipinski PAINS SMILES
BEZ RCSB PDB A0A0K8P8E7 122.1 Da LogP 1.38 TPSA 37.3 ✓ Ro5 ✓ Clean c1ccc(cc1)C(=O)O
C8X RCSB PDB A0A0K8P8E7 254.2 Da LogP -0.02 TPSA 93.1 ✓ Ro5 ✓ Clean c1cc(ccc1C(=O)OCCO)C(=O)OCCO
C9C RCSB PDB A0A0K8P8E7 210.2 Da LogP 0.53 TPSA 83.8 ✓ Ro5 ✓ Clean c1cc(ccc1C(=O)O)C(=O)OCCO
J1K RCSB PDB A0A0K8P8E7 209.2 Da LogP 0.11 TPSA 86.6 ✓ Ro5 ✓ Clean c1cc(ccc1C(=O)NCCO)C(=O)O

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.