Genome KpATCC43816

Protein target profile

FAD binding domain protein

Accession: VK055_2006

Gene: AIK80612.1 3D evidence: AlphaFold DB model + ColabFold model Metabolism Not in network UniProt A0A0H3GP94
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Length 433
Pocket druggability (P2Rank) 0.997
Functional annotation 0 EC 1 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 1.00. Structure available AlphaFold DB model + ColabFold model

Risks to review

Microbiome similarity 23 of 4744 screened genomes (0.5%) have a significant similarity hit. This target also has a predicted binding pocket (P2Rank 1.00) — check the ligand evidence before deprioritizing on off-target risk alone. Best pocket may be a modeling artifact FPocket selected-pocket score 0.98, 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)
N
DEG identity (%)
32.941 Higher values support similarity to known essential genes.

Structure confidence

ColabFold pLDDT
95.0 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) 0.997
Structure A0A0H3GP94
Pocket Pocket 1
Druggability (FPocket) 0.982
Structure A0A0H3GP94
Pocket Pocket 1
ColabFold model
P2Rank 0.997 · Pocket 1
FPocket 0.985 · Pocket 26
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 23 / 4744 genomes with a hit
Prevalence 0.5%

Cross-references

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

Sequence

UniProt A0A0H3GP94

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.

MNIKIDALNYYGATKKYHLHFPALREDIEADVVIIGGGFSGINTALELAEQGITNVVVLEARHLGYGGTGRNGGQVMAGIGHDIEAVKKHVGKEGLETLFKIANLGAGIIRERIRKYNIDADFVPGYGYLAYNQRQLKTLRQWEKEFKAATPDEEIELYTGKEVQQVVGSEVYCGALKHMGGGQIHSLNMLLGSAQAAHSLGVKIFESSPVVEVNYGKQVRVRTAMGSVKAAKLLWACDSFLNNMEPEIYNKTLVTYSYQVSTEPLSDELIERISPLRGAFSDIRPVINYYRVTRENRLLFGSATRFVEYTPNDFAAWNRTLLAEVFPYLRDVKIDFAWGGPMACSANLFPQIGTLRDHNNVFYVQGYSGFGVTPSHIVCKILAEGINGGSDRYRLLSSIPHATIHGRDSLRLLLVTAGKLMHQTAGFWKGRS

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 GO

Subcellular localization

Localization
Cytoplasmic

Gene Ontology (GO)

1
  • GO:0016491 Catalysis of an oxidation-reduction (redox) reaction, a reversible chemical reaction in which the oxidation state of an atom or atoms within a molecule is altered. One substrate acts as a hydrogen or electron donor and becomes oxidized, while the other acts as hydrogen or electron acceptor and becomes reduced.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

8 records
Show feature table
Start End DB Term Name
27 387 PANTHER PTHR13847 SARCOSINE DEHYDROGENASE-RELATED
31 385 Pfam PF01266 FAD dependent oxidoreductase
31 385 InterPro IPR006076 FAD dependent oxidoreductase
31 385 Gene3D G3DSA:3.50.50.60 -
31 385 InterPro IPR036188 FAD/NAD(P)-binding domain superfamily
125 346 Gene3D G3DSA:3.30.9.10 -
30 397 SUPERFAMILY SSF51905 FAD/NAD(P)-binding domain
30 397 InterPro IPR036188 FAD/NAD(P)-binding domain superfamily

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.

Download VMD script Full viewer

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Drag to rotate — click the view, then scroll to zoom.

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
0.997
Likely same site as FPocket 1 5.8 Å 48 shared residues 84% of smaller site
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Surrounding area
Pocket 2 P2Rank #2
0.605
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Surrounding area
Pocket 3 P2Rank #3
0.121
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Surrounding area
Pocket 4 P2Rank #4
0.023
Likely same site as FPocket 1 6.7 Å 5 shared residues 71% of smaller site
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Surrounding area
Pocket 5 P2Rank #5
0.008
Likely same site as FPocket 1 6.9 Å 6 shared residues 60% of smaller site
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Surrounding area

Binding pockets · FPocket

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

Pocket 1 FPocket #1
0.982 Unusual size
Likely same site as P2Rank 1 5.8 Å 48 shared residues 84% of smaller site
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Surrounding area
Pocket 2 FPocket #20
0.312 Unusual size
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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_A0A0H3GP94
AlphaFold DB — — full sequence — Viewing
ColabFold VK055_2006
ColabFold — — full sequence — Loaded