KpKP13 Protein target profile

Ethanolamine ammonia-lyase heavy chain

Accession: KP13_02112

Gene: AHE46112.1 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A0H3GNV9
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Length 462
Pocket druggability (P2Rank · AlphaFold DB model) 0.401
Direct ligand evidence 0 54 total records
Functional annotation 1 EC 7 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. Moderate predicted binding pocket FPocket selected-pocket score 0.57. This supports review but is not experimental validation. Structure available AlphaFold DB model + ColabFold model Review the complete evidence below

Risks to review

Microbiome similarity 264 of 4744 screened genomes (5.6%) have a significant similarity hit. This target also has a predicted binding pocket (P2Rank 0.40) — check the ligand evidence before deprioritizing on off-target risk alone. Weak second pocket-predictor signal P2Rank predicted binding-site probability 0.40.

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
5.6% 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
96.32 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) 0.401
Structure A0A0H3GNV9
Pocket Pocket 1
Druggability (FPocket) 0.57
Structure A0A0H3GNV9
Pocket Pocket 4
ColabFold model
P2Rank 0.455 · Pocket 1
FPocket 0.698 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 264 / 4744 genomes with a hit
Prevalence 5.6%

Sequence

Primary amino-acid sequence viewer.

MYKTTLSGQVWRFDSLKTLMAKASPARSGDALAGVIATSAEERMAAKMALAEVPLTDILDNPLIPYEQDEVTRLILDTHDAQGFAALRHLTVGDFRDWLLDDATDTATLQRVTRAITPEMAAAVSKLMRNQDLILAASKCQVVTRFRNTIGLPGHLSVRLQPNHPTDDLKGIAASMLDGLLYGAGDAVIGINPASDSLPVLAQLNVMLDDIIQRFAIPTQSCILTHVTNTLQLIERGAPVDLVFQSVAGTEAANSGFGINLAMLQEAREAALSLRRGTLGSNVMYFETGQGSCLSANAHHGVDQQTCEARAYAVARHFEPLLVNTVVGFIGPEYLYDGKQIIRAGLEDHFCGKLMGLPIGCDVCYTNHAEADQDDMDTLLTLLCAAGLTFLIGVPGADDIMLNYQSTSFHDALYARRLLGLKHAPEFADWLAKMQIIDPHGALRLTDARHPLLSVLPQGASV

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 7 GO

Subcellular localization

Localization
Cytoplasmic

Enzyme Commission (EC)

1

Gene Ontology (GO)

7
  • GO:0006520 The chemical reactions and pathways involving amino acids, carboxylic acids containing one or more amino groups.
  • GO:0008851 Catalysis of the reaction: ethanolamine = acetaldehyde + NH4+.
  • GO:0005829 The part of the cytoplasm that does not contain organelles but which does contain other particulate matter, such as protein complexes.
  • GO:0009350 An enzyme complex that catalyzes the breakdown of ethanolamine to form acetaldehyde and ammonia.
  • GO:0031471 An organelle found in bacteria consisting of a proteinaceous coat containing enzymes for the degradation of ethanolamine whose purpose is the protection of the rest of the cell from the toxic acetaldehyde product of the enzyme ethanolamine ammonia lyase.
  • GO:0031419 Binding to cobalamin (vitamin B12), a water-soluble vitamin characterized by possession of a corrin nucleus containing a cobalt atom.
  • GO:0046336 The chemical reactions and pathways resulting in the breakdown of ethanolamine (2-aminoethanol), an important water-soluble base of phospholipid (phosphatidylethanolamine).

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

14 records
Show feature table
Start End DB Term Name
2 448 PANTHER PTHR39329 ETHANOLAMINE AMMONIA-LYASE HEAVY CHAIN
2 448 InterPro IPR010628 Ethanolamine ammonia-lyase heavy chain
11 443 Pfam PF06751 Ethanolamine ammonia lyase large subunit (EutB)
11 443 InterPro IPR010628 Ethanolamine ammonia-lyase heavy chain
1 52 Gene3D G3DSA:2.30.170.30 -
1 52 InterPro IPR044941 Ethanolamine ammonia-lyase heavy chain, N-terminal domain
1 455 Hamap MF_00861 Ethanolamine ammonia-lyase large subunit [eutB].
1 455 InterPro IPR010628 Ethanolamine ammonia-lyase heavy chain
54 140 Gene3D G3DSA:1.10.220.70 lyase
54 140 InterPro IPR044939 Ethanolamine ammonia-lyase heavy chain, domain 2
1 456 PIRSF PIRSF018788 EutB
1 456 InterPro IPR010628 Ethanolamine ammonia-lyase heavy chain
141 450 Gene3D G3DSA:3.20.20.70 Aldolase class I
141 450 InterPro IPR013785 Aldolase-type TIM barrel

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
0.401
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Surrounding area
Pocket 2 P2Rank #2
0.084
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Surrounding area
Pocket 3 P2Rank #3
0.02
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Surrounding area
Pocket 4 P2Rank #4
0.005
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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
0.57
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Surrounding area
Residue sets
UniProt: Binding site:159-161
UniProt: Binding site:192-192
UniProt: Binding site:193-193
UniProt: Binding site:245-245
UniProt: Binding site:287-287
UniProt: Binding site:295-295
UniProt: Binding site:362-362
UniProt: Binding site:401-401
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_A0A0H3GNV9
AlphaFold DB — — full sequence — Viewing
ColabFold KP13_02112
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
2A1 PDB via homolog 75.1 Da · LogP -0.67 · TPSA 46.2 Open detail RCSB PDB
2A3 PDB via homolog Detail RCSB PDB
5AD PDB via homolog Detail RCSB PDB
ETA PDB via homolog Detail RCSB PDB
ZINC100352250 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
2A1 RCSB PDB
3ABQ
P0AEJ6 75.1 Da LogP -0.67 TPSA 46.2 ✓ Ro5 ✓ Clean C[C@@H](CO)N
2A3 RCSB PDB
3ANY
P0AEJ6 75.1 Da LogP -0.67 TPSA 46.2 ✓ Ro5 ✓ Clean C[C@H](CO)N
5AD RCSB PDB
5YSN
P0AEJ6 251.2 Da LogP -0.95 TPSA 119.3 ✓ Ro5 ✓ Clean C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
ETA RCSB PDB
3ABO
P0AEJ6 61.1 Da LogP -1.06 TPSA 46.2 ✓ Ro5 ✓ Clean C(CO)N

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 A0A0H3GNV9