KpATCC43816 Protein target profile

acyl-CoA dehydrogenase, N-terminal domain protein

Accession: VK055_4372

Gene: AIK82915.1 3D evidence: AlphaFold DB model + ColabFold model Metabolism Not in network UniProt A0A0H3GWV9
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Length 407
Pocket druggability (P2Rank · AlphaFold DB model) 0.949
Functional annotation 0 EC 4 GO
Target summary

Target candidate with partial support; inspect missing evidence before prioritizing.

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. Second pocket predictor agrees P2Rank predicted binding-site probability 0.95. Structure available AlphaFold DB model + ColabFold model

Risks to review

Microbiome similarity 22 of 4744 screened genomes (0.5%) have a significant similarity hit. This target also has a predicted binding pocket (P2Rank 0.95) — check the ligand evidence before deprioritizing on off-target risk alone. Mixed conservation Core/accessory calls are not fully concordant. Best pocket may be a modeling artifact FPocket selected-pocket score 0.83, but this pocket's geometry is unusually large/diffuse compared to this protein's other predicted pockets — may reflect a low-confidence or disordered model region rather than a real cavity.

Evidence gaps

No ligand evidence No experimental PDB ligands, measured ChEMBL bioactivity, or proposed ZINC compound records are available.
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
0.5% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG)
Y
DEG identity (%)
58.416 Higher values support similarity to known essential genes.
DEG E-value
5.8899999999999996e-158 Smaller values mean stronger essential-gene similarity.

Structure confidence

ColabFold pLDDT
95.19 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) 0.949
Structure A0A0H3GWV9
Pocket Pocket 1
Druggability (FPocket) 0.83
Structure A0A0H3GWV9
Pocket Pocket 4
ColabFold model
P2Rank 0.931 · Pocket 1
FPocket 0.978 · Pocket 15
Core conservation Accessory gene
Roary core
CoreCruncher accessory
Gut microbiome 22 / 4744 genomes with a hit
Prevalence 0.5%

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.

MTLLSTGTDYDALAAAFRPIFTRIAQGAAEREQQRILPDEPIRWLKEAGFGTLRIPREKGGWGASLPQLSALLIELAQADSNLPQALRAHFAFVEDQLNQPDSAGRDRWFRRFLDGELVGSGWTEIGAVKLGEVNTRVTPAEGGWRLDGEKFYSTGALYADWIDVFARRSDTASDVIALVSTQQTGVVREDDWDGFGQRLTGSGTTRFTGARVETEHVYDFAQRFRYQTAFYQHVLLATLAGIGLAVERDAAQGVKHRSRMYSHGNAAVPRDDAQVLQVVGQISSWAWATRAAVLQAAESLQQAYVAHVSDDEALIARRNQLAEVEAAQAQVIASDWIPRAATELFNALGASDTRTRLALDRHWRNARTVASHNPVIYKARNIGNWLVNGEAPTFIWQIGNGEKTAG

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

4 GO

Subcellular localization

Localization
Unknown

Gene Ontology (GO)

4
  • GO:0050660 Binding to FAD, flavin-adenine dinucleotide, the coenzyme or the prosthetic group of various flavoprotein oxidoreductase enzymes, in either the oxidized form, FAD, or the reduced form, FADH2.
  • GO:0016627 Catalysis of an oxidation-reduction (redox) reaction in which a CH-CH group acts as a hydrogen or electron donor and reduces a hydrogen or electron acceptor.
  • GO:0008470 Catalysis of the reaction: 3-methylbutanoyl-CoA + H+ + oxidized [electron-transfer flavoprotein] = 3-methyl-(2E)-butenoyl-CoA + reduced [electron-transfer flavoprotein].
  • GO:0006552 The chemical reactions and pathways resulting in the breakdown of L-leucine.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

18 records
Show feature table
Start End DB Term Name
22 117 Pfam PF02771 Acyl-CoA dehydrogenase, N-terminal domain
22 117 InterPro IPR013786 Acyl-CoA dehydrogenase/oxidase, N-terminal
218 398 Gene3D G3DSA:1.20.140.10 -
120 217 Gene3D G3DSA:2.40.110.10 -
120 217 InterPro IPR046373 Acyl-CoA oxidase/dehydrogenase, middle domain superfamily
7 218 SUPERFAMILY SSF56645 Acyl-CoA dehydrogenase NM domain-like
7 218 InterPro IPR009100 Acyl-CoA dehydrogenase/oxidase, N-terminal and middle domain superfamily
5 118 Gene3D G3DSA:1.10.540.10 -
5 118 InterPro IPR037069 Acyl-CoA dehydrogenase/oxidase, N-terminal domain superfamily
130 393 PIRSF PIRSF016578 PIGM
4 83 PIRSF PIRSF016578 PIGM
22 371 PANTHER PTHR43884 ACYL-COA DEHYDROGENASE
130 209 Pfam PF02770 Acyl-CoA dehydrogenase, middle domain
130 209 InterPro IPR006091 Acyl-CoA oxidase/dehydrogenase, middle domain
232 375 SUPERFAMILY SSF47203 Acyl-CoA dehydrogenase C-terminal domain-like
232 375 InterPro IPR036250 Acyl-CoA dehydrogenase-like, C-terminal
272 374 Pfam PF08028 Acyl-CoA dehydrogenase, C-terminal domain
272 374 InterPro IPR013107 Acyl-CoA dehydrogenase, C-terminal domain

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
0.949
Likely same site as FPocket 4 2.5 Å 26 shared residues 90% of smaller site
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Surrounding area
Pocket 2 P2Rank #2
0.27
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Surrounding area
Pocket 3 P2Rank #3
0.172
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Surrounding area
Pocket 4 P2Rank #4
0.091
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Surrounding area
Pocket 5 P2Rank #5
0.01
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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
0.83 Unusual size
Likely same site as P2Rank 1 2.5 Å 26 shared residues 90% 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_A0A0H3GWV9
AlphaFold DB — — full sequence — Viewing
ColabFold VK055_4372
ColabFold — — full sequence — Loaded

Cross-references

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

Sequence

UniProt A0A0H3GWV9