KpATCC43816 Protein target profile

adenine deaminase 2

Accession: VK055_4969

Gene: ade2 AIK83495.1 3D evidence: AlphaFold DB model + ColabFold model Metabolism 1 reaction UniProt A0A0H3GSQ0
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Length 603
Pocket druggability (P2Rank · AlphaFold DB model) 0.933
Metabolic reactions 1
Chokepoint No
Functional annotation 1 EC 4 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.

Main supporting evidence

Independent pocket support: P2Rank + FPocket Both predictors report a high-scoring binding site (P2Rank 0.93, FPocket 0.86). Use the 3D pocket comparison to verify whether they identify the same site. Central metabolic position More central than 93.7% of genes in this genome. No isoenzyme backup detected Imported GPR rules do not show an alternative enzyme for the catalyzed reaction set. No similar human protein detected The current BLAST sequence screen did not find a significant human match, lowering apparent off-target risk. Review the complete evidence below

Risks to review

Microbiome similarity 34 of 4744 screened genomes (0.7%) have a significant similarity hit. This target also has a predicted binding pocket (P2Rank 0.93) — check the ligand evidence before deprioritizing on off-target risk alone. Mixed conservation Core/accessory calls are not fully concordant.

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
0.7% 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
95.21 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) 0.933
Structure A0A0H3GSQ0
Pocket Pocket 1
Druggability (FPocket) 0.865
Structure A0A0H3GSQ0
Pocket Pocket 28
ColabFold model
P2Rank 0.938 · Pocket 1
FPocket 0.761 · Pocket 29
Core conservation Accessory gene
Roary accessory
CoreCruncher accessory
Gut microbiome 34 / 4744 genomes with a hit
Prevalence 0.7%

Metabolic context

Reactions catalyzed, pathway membership, and centrality in the genome-scale metabolic network.

Explore metabolic network

Metabolic context: more central than 93.7% of genes in this genome, no human homolog detected.

Relative network centrality 93.7% more central than 93.7% of genes in this genome
Chokepoint Not a chokepoint
Pathways
Purine metabolism
Catalyzed reaction

1 reaction mapped to this gene in the metabolic model. Open the full network to see each one, with substrates/products and the reaction-reaction map.

Imported from KpATCC43816.sbml · 2026-07-09

Sequence

Primary amino-acid sequence viewer.

MSSNAQVRRRAVQAARGESPFDLLLIDAQIVDMATGEIRPADVGIVGEMIASVHPRGSREDAHEVRSLAGGYLSPGLMDTHVHLESSHLPPERYAEIVLTQGTTAVFWDPHELANVLGVAGVRYAVDASRHLPLQVMVAAPSSVPSTPGLEMSGADFAGAEMETMLGWPEVRGVAEVMDMHGVLHGSERMQEIVQAGLNSGKLIEGHARGLSGADLQAYLAAGVTSDHELTSADDALEKLRAGLTIEIRGSHPYLLPDIVAALKTLPHLSSQITVCTDDVPPDMLLEKGGIIALLNLLIEHGLPAVDALRFATLNAAIRLQRHDLGLIAAGRRADLVVFDSLEKLVAREVYVGGKLLARAGNLLTPIAPAAGVTPPRDTLQIAPLRADDFILRVQGICHGIARLRHIRGARFTQWGEVEVQVRDGKVQLPAGFSLIWVKHRHGRHQATPQIALLEGWGELRGAIATSYSHDSHNLVVLGRDANDMALAANQLIASGGGMALAQQGEILAHVAMPIAGMLSDLPAAELARQFRELRDLSSQVADWEPPYRVFKAIEGTCLACNAGPHLTDLGLTDGGSRQIVDPLIACREIPEPTDHNNNPQGA

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 4 GO

Subcellular localization

Localization
Cytoplasmic

Enzyme Commission (EC)

1

Gene Ontology (GO)

4
  • GO:0016810 Catalysis of the hydrolysis of any carbon-nitrogen bond, C-N, with the exception of peptide bonds.
  • GO:0006146 The chemical reactions and pathways resulting in the breakdown of adenine, 6-aminopurine, one of the 5 main bases found in nucleic acids and a component of numerous important derivatives of its corresponding ribonucleoside, adenosine.
  • GO:0000034 Catalysis of the reaction: adenine + H+ + H2O = hypoxanthine + NH4+.
  • GO:0016787 Catalysis of the hydrolysis of various bonds, e.g. C-O, C-N, C-C, phosphoric anhydride bonds, etc.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

14 records
Show feature table
Start End DB Term Name
22 582 Hamap MF_01518 Adenine deaminase [ade].
22 582 InterPro IPR006679 Adenine deaminase
19 252 PANTHER PTHR11113 N-ACETYLGLUCOSAMINE-6-PHOSPHATE DEACETYLASE
13 368 SUPERFAMILY SSF51338 Composite domain of metallo-dependent hydrolases
13 368 InterPro IPR011059 Metal-dependent hydrolase, composite domain superfamily
76 326 SUPERFAMILY SSF51556 Metallo-dependent hydrolases
76 326 InterPro IPR032466 Metal-dependent hydrolase
14 356 Gene3D G3DSA:2.30.40.10 Urease, subunit C, domain 1
14 356 InterPro IPR011059 Metal-dependent hydrolase, composite domain superfamily
412 577 Pfam PF13382 Adenine deaminase C-terminal domain
412 577 InterPro IPR026912 Adenine deaminase C-terminal domain
73 355 Pfam PF01979 Amidohydrolase family
73 355 InterPro IPR006680 Amidohydrolase-related
76 321 Gene3D G3DSA:3.20.20.140 -

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
0.933
Likely same site as FPocket 30 3.8 Å 27 shared residues 100% of smaller site
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Surrounding area
Pocket 2 P2Rank #2
0.123
Likely same site as FPocket 28 1.6 Å 14 shared residues 100% of smaller site
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Surrounding area
Pocket 3 P2Rank #3
0.08
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Surrounding area
Pocket 4 P2Rank #4
0.049
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Surrounding area
Pocket 5 P2Rank #5
0.008
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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 #28
0.865
Likely same site as P2Rank 2 1.6 Å 14 shared residues 100% of smaller site
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Surrounding area
Pocket 2 FPocket #30
0.764 Unusual size
Likely same site as P2Rank 1 3.8 Å 27 shared residues 100% of smaller site
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Surrounding area
Pocket 3 FPocket #18
0.236
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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_A0A0H3GSQ0
AlphaFold DB — — full sequence — Viewing
ColabFold VK055_4969
ColabFold — — full sequence — Loaded

Cross-references

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

Sequence

UniProt A0A0H3GSQ0

Pathways

KEGG R01244 BioCyc ADENINE-DEAMINASE-RXN