KpKP13 Protein target profile

Endonuclease III

Accession: KP13_05170

Gene: AHE44289.1 nth 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A0H3GTN3
Length 211
Pocket druggability (P2Rank · AlphaFold DB model) 0.639
Direct ligand evidence 0 5 total records
Functional annotation 1 EC 10 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.

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
Hit
Human identity (%)
35.484 Lower values reduce human off-target concern.
Human E-value
4.82e-16
Gut microbiome similarity
7.9% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG)
Y
DEG identity (%)
83.254 Higher values support similarity to known essential genes.
DEG E-value
1.21e-130 Smaller values mean stronger essential-gene similarity.

Structure confidence

ColabFold pLDDT
97.48 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) 0.639
Structure A0A0H3GTN3
Pocket Pocket 1
Druggability (FPocket) 0.425
Structure A0A0H3GTN3
Pocket Pocket 1
ColabFold model
P2Rank 0.6 · Pocket 1
FPocket 0.414 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 376 / 4744 genomes with a hit
Prevalence 7.9%

Sequence

Primary amino-acid sequence viewer.

MNKAKRLAILTRLRENDPHPTTELHFSSPFELLIAVLLSAQATDVSVNKATAKLYPVANTPAAMLALGVDGVKSYIKTIGLFNSKAENVIKTCRILLEQHNGEVPEDRAALEALPGVGRKTANVVLNTAFGWPTIAVDTHIFRVCNRTQFAPGKNVEQVEEKLLKVVPAEFKVDCHHWLILHGRYTCIARKPRCGSCLIEDLCEYKDKVYA

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 10 GO

Subcellular localization

Localization
Cytoplasmic

Enzyme Commission (EC)

1

Gene Ontology (GO)

10
  • GO:0051539 Binding to a 4 iron, 4 sulfur (4Fe-4S) cluster; this cluster consists of four iron atoms, with the inorganic sulfur atoms found between the irons and acting as bridging ligands.
  • GO:0003906 Catalysis of the cleavage of the C-O-P bond in the AP site created when DNA glycosylase removes a damaged base, involved in the DNA base excision repair pathway (BER).
  • GO:0006284 In base excision repair, an altered base is removed by a DNA glycosylase enzyme, followed by excision of the resulting sugar phosphate. The small gap left in the DNA helix is filled in by the sequential action of DNA polymerase and DNA ligase.
  • GO:0003824 Catalysis of a biochemical reaction at physiological temperatures. In biologically catalyzed reactions, the reactants are known as substrates, and the catalysts are naturally occurring macromolecular substances known as enzymes. Enzymes possess specific binding sites for substrates, and are usually composed wholly or largely of protein, but RNA that has catalytic activity (ribozyme) is often also regarded as enzymatic.
  • GO:0006281 The process of restoring DNA after damage. Genomes are subject to damage by chemical and physical agents in the environment (e.g. UV and ionizing radiations, chemical mutagens, fungal and bacterial toxins, etc.) and by free radicals or alkylating agents endogenously generated in metabolism. DNA is also damaged because of errors during its replication. A variety of different DNA repair pathways have been reported that include direct reversal, base excision repair, nucleotide excision repair, photoreactivation, bypass, double-strand break repair pathway, and mismatch repair pathway.
  • GO:0003677 Any molecular function by which a gene product interacts selectively and non-covalently with DNA (deoxyribonucleic acid).
  • GO:0140078 Catalysis of the cleavage of an AP site 3' of the baseless site by a beta-lyase mechanism, leaving an unsaturated aldehyde, termed a 3'-(4-hydroxy-5-phospho-2-pentenal) residue, and a 5'-phosphate.
  • GO:0019104 Catalysis of the removal of damaged bases by cleaving the N-C1' glycosidic bond between the target damaged DNA base and the deoxyribose sugar. The reaction releases a free base and leaves an apurinic/apyrimidinic (AP) site.
  • GO:0046872 Binding to a metal ion.
  • GO:0006285 The formation of an AP site, a deoxyribose sugar with a missing base, by DNA glycosylase which recognizes an altered base in DNA and catalyzes its hydrolytic removal. This sugar phosphate is the substrate recognized by the AP endonuclease, which cuts the DNA phosphodiester backbone at the 5' side of the altered site to leave a gap which is subsequently repaired.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

29 records
Show feature table
Start End DB Term Name
21 132 FunFam G3DSA:1.10.340.30:FF:000001 Endonuclease III
187 203 Pfam PF10576 Iron-sulfur binding domain of endonuclease III
187 203 InterPro IPR003651 Endonuclease III-like, iron-sulphur cluster loop motif
12 205 Gene3D G3DSA:1.10.1670.10 -
12 205 InterPro IPR023170 Helix-hairpin-helix, base-excision DNA repair, C-terminal
186 206 SMART SM00525 ccc3
186 206 InterPro IPR003651 Endonuclease III-like, iron-sulphur cluster loop motif
2 208 PANTHER PTHR10359 A/G-SPECIFIC ADENINE GLYCOSYLASE/ENDONUCLEASE III
21 132 Gene3D G3DSA:1.10.340.30 Hypothetical protein; domain 2
1 209 Hamap MF_00942 Endonuclease III [nth].
1 209 InterPro IPR005759 Endonuclease III
30 183 CDD cd00056 ENDO3c
30 183 InterPro IPR003265 HhH-GPD domain
100 127 Pfam PF00633 Helix-hairpin-helix motif
100 127 InterPro IPR000445 Helix-hairpin-helix motif
34 168 Pfam PF00730 HhH-GPD superfamily base excision DNA repair protein
34 168 InterPro IPR003265 HhH-GPD domain
3 207 SUPERFAMILY SSF48150 DNA-glycosylase
3 207 InterPro IPR011257 DNA glycosylase
38 185 SMART SM00478 endo3end
38 185 InterPro IPR003265 HhH-GPD domain
1 210 PIRSF PIRSF001435 Nth
187 203 ProSitePatterns PS00764 Endonuclease III iron-sulfur binding region signature.
187 203 InterPro IPR004035 Endonuclease III, iron-sulphur binding site
127 205 FunFam G3DSA:1.10.1670.10:FF:000001 Endonuclease III
4 194 NCBIfam TIGR01083 endonuclease III
4 194 InterPro IPR005759 Endonuclease III
102 131 ProSitePatterns PS01155 Endonuclease III family signature.
102 131 InterPro IPR004036 Endonuclease III-like, conserved site-2

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

Loading 3D structure...

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

Druggability (P2Rank): high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Pocket 1 P2Rank #1
0.639
Show in viewer
Surrounding area
Pocket 2 P2Rank #2
0.068
Likely same site as FPocket 1 1.5 Å 8 shared residues 100% of smaller site
Show in viewer
Surrounding area
Pocket 3 P2Rank #3
0.026
Show in viewer
Surrounding area

Binding pockets · FPocket

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

Pocket 1 FPocket #1
0.425
Likely same site as P2Rank 2 1.5 Å 8 shared residues 100% of smaller site
Show in viewer
Surrounding area
Residue sets
UniProt: Binding site:187-187
UniProt: Binding site:194-194
UniProt: Binding site:197-197
UniProt: Binding site:203-203
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_A0A0H3GTN3
AlphaFold DB full sequence Viewing
ColabFold KP13_05170
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.

5 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 4 similarity-based ZINC candidates
Best available ligand signal
ADE PDB via homolog 135.1 Da · LogP -0.06 · TPSA 80.5 Open detail RCSB PDB
ZINC43463386 ZINC proposed compound · Tanimoto 0.533 Detail ZINC
ZINC4552271 ZINC proposed compound · Tanimoto 0.533 Detail ZINC
ZINC4707072 ZINC proposed compound · Tanimoto 0.533 Detail ZINC
ZINC5543260 ZINC proposed compound · Tanimoto 0.500 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
ADE RCSB PDB P17802 135.1 Da LogP -0.06 TPSA 80.5 ✓ Ro5 ✓ Clean c1[nH]c2c(n1)c(ncn2)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.