Genome KpKP13

Protein target profile

putative hydrolase

Accession: KP13_00036

Gene: AHE47147.1 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A0C7KF67
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Length 388
Pocket druggability (P2Rank) 0.725
Direct ligand evidence 0 51 total records
Functional annotation 0 EC 4 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 0.72. Structure available AlphaFold DB model + ColabFold model Review the complete evidence below

Risks to review

Microbiome similarity 31 of 4744 screened genomes (0.7%) have a significant similarity hit. This target also has a predicted binding pocket (P2Rank 0.72) — check the ligand evidence before deprioritizing on off-target risk alone. Weak predicted binding pocket FPocket selected-pocket score 0.39.

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
No hit
Gut microbiome similarity
0.7% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG)
Y
DEG identity (%)
70.876 Higher values support similarity to known essential genes.
DEG E-value
0.0 Smaller values mean stronger essential-gene similarity.

Structure confidence

ColabFold pLDDT
95.1 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) 0.725
Structure A0A0C7KF67
Pocket Pocket 1
Druggability (FPocket) 0.386
Structure A0A0C7KF67
Pocket Pocket 7
ColabFold model
P2Rank 0.808 · Pocket 1
FPocket 0.596 · Pocket 15
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 31 / 4744 genomes with a hit
Prevalence 0.7%

Cross-references

External database identifiers for this protein, its structures, ligands, and metabolic reactions.

Sequence

UniProt A0A0C7KF67

Sequence

Primary amino-acid sequence viewer.

MKRHAIYFALALAGAAFTLQAAPLPAMPDPSLPVSHFITQVNADKSITYRLFAPDARRVSIVTGATPDSFVSHDMTKAADGVWTWKSEPMKPNLYEYYFDVDGFRSVDTGSRYQKPQRQVNTSLILVPGSILDDREVAHGDLRTLTYHSKALNAERRLYVWTPPGYSGTGDPLPVLYFYHGFGDSGLSAIDQGRIPQIMDNLLAEGKIKPMLVVVPDTETDIPEAVAENFPPQERRKTFYPLNAQAADKELMQDIIPLIDARFNVRKDADGRALAGLSQGGYQALVSGMNHLESFGWLATFSGVTTTTVPNAGVEAQLKQPDAINKQLRNFTVVVGEKDSVTGKDIAGLKSELEKQQIKFDYHQYPGLNHEMDVWRPAYAEFVQKLFK

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

4 GO

Subcellular localization

Localization
Unknown

Gene Ontology (GO)

4
  • GO:0005975 The chemical reactions and pathways involving carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y.
  • GO:0004553 Catalysis of the hydrolysis of any O-glycosyl bond.
  • GO:0016747 Catalysis of the transfer of an acyl group, other than amino-acyl, from one compound (donor) to another (acceptor).
  • GO:0045493 The chemical reactions and pathways resulting in the breakdown of xylan, a polymer containing a beta-1,4-linked D-xylose backbone.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

22 records
Show feature table
Start End DB Term Name
45 128 CDD cd11294 E_set_Esterase_like_N
5 16 Phobius SIGNAL_PEPTIDE_H_REGION Hydrophobic region of a signal peptide.
5 27 TMHMM TMhelix Region of a membrane-bound protein predicted to be embedded in the membrane.
1 21 SignalP_EUK SignalP-noTM SignalP-noTM
130 388 Gene3D G3DSA:3.40.50.1820 alpha/beta hydrolase
130 388 InterPro IPR029058 Alpha/Beta hydrolase fold
135 388 SUPERFAMILY SSF53474 alpha/beta-Hydrolases
135 388 InterPro IPR029058 Alpha/Beta hydrolase fold
17 21 Phobius SIGNAL_PEPTIDE_C_REGION C-terminal region of a signal peptide.
110 387 PANTHER PTHR48098 ENTEROCHELIN ESTERASE-RELATED
1 21 Phobius SIGNAL_PEPTIDE Signal peptide region
22 388 Phobius NON_CYTOPLASMIC_DOMAIN Region of a membrane-bound protein predicted to be outside the membrane, in the extracellular region.
1 21 SignalP_GRAM_POSITIVE SignalP-TM SignalP-TM
32 125 Gene3D G3DSA:2.60.40.10 Immunoglobulins
32 125 InterPro IPR013783 Immunoglobulin-like fold
42 102 Pfam PF02922 Carbohydrate-binding module 48 (Isoamylase N-terminal domain)
42 102 InterPro IPR004193 Glycoside hydrolase, family 13, N-terminal
149 378 Pfam PF00756 Putative esterase
149 378 InterPro IPR000801 Esterase-like
1 4 Phobius SIGNAL_PEPTIDE_N_REGION N-terminal region of a signal peptide.
43 103 SUPERFAMILY SSF81296 E set domains
43 103 InterPro IPR014756 Immunoglobulin E-set

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

Probability: high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Pocket 1 P2Rank #1
0.725
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Surrounding area
Pocket 2 P2Rank #2
0.355
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Surrounding area
Pocket 3 P2Rank #3
0.008
Likely same site as FPocket 7 4.0 Å 7 shared residues 78% of smaller site
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Surrounding area
Pocket 4 P2Rank #4
0.005
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Surrounding area
Pocket 5 P2Rank #5
0.001
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Surrounding area

Binding pockets · FPocket

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

Pocket 1 FPocket #7
0.386
Likely same site as P2Rank 3 4.0 Å 7 shared residues 78% of smaller site
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Surrounding area
Pocket 2 FPocket #5
0.262
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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_A0A0C7KF67
AlphaFold DB — — full sequence — Viewing
ColabFold KP13_00036
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.

51 records
Chemistry signal

Structural ligand evidence is available for this target.

Direct evidence 0 same-protein records
Transferred evidence 1 records from similar proteins
Structural ligands 1 0 loaded crystals
Measured bioactivity 0 direct and transferred ChEMBL records
Proposed compounds 50 similarity-based ZINC candidates
Best available ligand signal
FER PDB via homolog 194.2 Da · LogP 1.50 · TPSA 66.8 Open detail RCSB PDB
ZINC13511212 ZINC proposed compound · Tanimoto 0.769 Detail ZINC
ZINC116202 ZINC proposed compound · Tanimoto 0.758 Detail ZINC
ZINC1857775664 ZINC proposed compound · Tanimoto 0.758 Detail ZINC
ZINC6007189 ZINC proposed compound · Tanimoto 0.758 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
FER RCSB PDB
5CXX
F2YCB6 194.2 Da LogP 1.50 TPSA 66.8 ✓ Ro5 ✓ Clean COc1cc(ccc1O)\C=C\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.