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
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
- 1.1% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.
Essentiality
- Essential (DEG)
- Y
- DEG identity (%)
- 46.494 Higher values support similarity to known essential genes.
- DEG E-value
- 2.0100000000000002e-163 Smaller values mean stronger essential-gene similarity.
Structure confidence
- ColabFold pLDDT
- 96.81 0-100 confidence; >70 supports local structural interpretation.
Binding-site evidence
AlphaFold DB / UniProt modelP2Rank'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.
Sequence
Primary amino-acid sequence viewer.
MSLIQNPILRGFNADPSIIRVEDTYYIANSTFEWFPGVRLHESKDLKNWNLLPSPLSTTTLLDMKGNPSSGGIWAPALSWADGQFWLVYTDVKVTEGAFKDMTNYLTTAKDIRGPWSDPIKLNGVGFDASLFHDDDGRKYIVQQTWDHREYHHPFDGITLTELDTETLKLMPETARTIYRGTAVALVEGPHLYKLNGYYYLFAAQGGTVFTHQEVVARSKTLEADSFETEPGDVFLTNVDTPDSYIQKQGHGALVSTPEDEWYYASLCARPWNRPGESIYDPRGWSTLGRETAIQKVYWDDEGWPRIEGGHGGKTFVEGPKDAIFTESPSDNSQQDDFTSPALDPNWNTLRVPFTAKMGTTGNGKLTLIGQGSLANTHDLSLIARRWQAFYFDAAVKVKFEPFSYQQMAGLTNYYNDRHWSFVFLTWNEINGKVIEVGENNRGKYTSYLKDNAIKVPDGVEYVWFRTKVRKQTYSYEYSFDGVTFTEIPVQLDAAVLSDDYVLQSYGGFFTGAFVGLAAVDYAGYGTQAEFYQFEYQELGDALAADGSYSWEAGETRDK
Functional annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Subcellular localization
- Localization
- Unknown
Gene Ontology (GO)
2- GO:0005975 The chemical reactions and pathways involving carbohydrates, any of a group of organic compounds based of the general formula Cx(H2O)y.
- GO:0004553 Catalysis of the hydrolysis of any O-glycosyl bond.
Sequence domains and features
Domain and signature matches imported from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 6 | 307 | CDD | cd09000 | GH43_SXA-like |
| 332 | 539 | Gene3D | G3DSA:2.60.120.200 | - |
| 4 | 320 | SUPERFAMILY | SSF75005 | Arabinanase/levansucrase/invertase |
| 4 | 320 | InterPro | IPR023296 | Glycosyl hydrolase, five-bladed beta-propellor domain superfamily |
| 4 | 537 | PANTHER | PTHR42812 | BETA-XYLOSIDASE |
| 335 | 537 | Pfam | PF17851 | Beta xylosidase C-terminal Concanavalin A-like domain |
| 335 | 537 | InterPro | IPR041542 | Beta-xylosidase, C-terminal Concanavalin A-like domain |
| 333 | 538 | SUPERFAMILY | SSF49899 | Concanavalin A-like lectins/glucanases |
| 333 | 538 | InterPro | IPR013320 | Concanavalin A-like lectin/glucanase domain superfamily |
| 4 | 305 | Pfam | PF04616 | Glycosyl hydrolases family 43 |
| 4 | 305 | InterPro | IPR006710 | Glycoside hydrolase, family 43 |
| 1 | 324 | Gene3D | G3DSA:2.115.10.20 | Glycosyl hydrolase domain; family 43 |
| 1 | 324 | InterPro | IPR023296 | Glycosyl hydrolase, five-bladed beta-propellor 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.
How colors and pocket overlays are used
Pocket details Inspect a specific pocket, or open the full viewer
- Method
- -
- Score
- -
- Visible layer
- -
- Residues
- -
- Pocket properties
- -
Selecting a pocket opens its details and centers the viewer without clearing other active layers. Use Focus this pocket when you want to hide the rest; use Surface for the wider residue environment.
Binding pockets · P2Rank
Druggability (P2Rank): high ≥ 0.5 · medium 0.2–0.49 · low < 0.2
Binding pockets · FPocket
Druggability (FPocket): high ≥ 0.7 · medium 0.4–0.69 · low < 0.4
Residue sets
Binding pockets · P2Rank
Druggability (P2Rank): high ≥ 0.5 · medium 0.2–0.49 · low < 0.2
Binding pockets · FPocket
Druggability (FPocket): high ≥ 0.7 · medium 0.4–0.69 · low < 0.4
All structural evidence
Structural evidence
0 + 2Experimental 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_A0A0H3GMM2
|
AlphaFold DB | — | — | full sequence | — | Viewing |
|
ColabFold
KP13_01208
|
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.
Structural ligand evidence is available for this target.
Highest-confidence structural evidence: ligands co-crystallized with this exact protein. If the source PDB is loaded in Target, use Open crystal to inspect it in the structure viewer.
No PDB structure with a co-crystallized ligand found for this exact protein.
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.
| Ligand | Source crystal | UniProt (homolog) | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|---|
| B3P RCSB PDB | O52575 | 282.3 Da LogP -4.01 TPSA 145.4 | 1 viol. | ✓ Clean |
C(CNC(CO)(CO)CO)CNC(CO)(CO)CO
|
|
| EDG RCSB PDB | A7LXT8 | 133.1 Da LogP -2.33 TPSA 72.7 | ✓ Ro5 | ✓ Clean |
C1[C@@H]([C@H]([C@@H](N1)CO)O)O
|
|
| FUB RCSB PDB | Q2I2N4 | 150.1 Da LogP -2.58 TPSA 90.2 | ✓ Ro5 | ✓ Clean |
C([C@H]1[C@@H]([C@H]([C@H](O1)O)O)O)O
|
|
| XYS RCSB PDB | Q2I2N4 | 150.1 Da LogP -2.58 TPSA 90.2 | ✓ Ro5 | ✓ Clean |
C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O
|
Experimental bioactivity from ChEMBL measured directly on this protein. Score = pchembl (−log Ki/IC₅₀; higher = more potent).
No ChEMBL bioactivity data found for this exact protein.
Bioactivity inferred from similar proteins in ChEMBL. Score = pchembl (−log Ki/IC₅₀; higher = more potent).
No ChEMBL hits found through similar proteins.
Proposed virtual-screening candidates from ZINC. Score = Tanimoto similarity to a known binder (0–1; higher = more similar).
| Ligand | Tanimoto | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|
| ZINC4521259 ZINC | 1.000 | 282.3 Da LogP -4.01 TPSA 145.4 | 1 viol. | ✓ Clean |
OCC(CO)(CO)NCCCNC(CO)(CO)CO
|
| ZINC115591405 ZINC | 0.636 | 373.6 Da LogP 4.55 TPSA 72.7 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCCCCCCNC(CO)(CO)CO
|
| ZINC115591837 ZINC | 0.636 | 317.5 Da LogP 2.99 TPSA 72.7 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCCNC(CO)(CO)CO
|
| ZINC143575268 ZINC | 0.636 | 289.5 Da LogP 2.21 TPSA 72.7 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCNC(CO)(CO)CO
|
| ZINC2322313 ZINC | 0.636 | 233.4 Da LogP 0.65 TPSA 72.7 | ✓ Ro5 | ✓ Clean |
CCCCCCCCNC(CO)(CO)CO
|
| ZINC97996983 ZINC | 0.636 | 345.6 Da LogP 3.77 TPSA 72.7 | ✓ Ro5 | ✓ Clean |
CCCCCCCCCCCCCCCCNC(CO)(CO)CO
|
| ZINC104251170 ZINC | 0.600 | 207.2 Da LogP -2.65 TPSA 93.4 | ✓ Ro5 | ✓ Clean |
CN(C)[C@@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O
|
| ZINC203488208 ZINC | 0.600 | 207.2 Da LogP -2.65 TPSA 93.4 | ✓ Ro5 | ✓ Clean |
CN(C)[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
|
| ZINC257346191 ZINC | 0.600 | 207.2 Da LogP -2.65 TPSA 93.4 | ✓ Ro5 | ✓ Clean |
CN(C)[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O
|
| ZINC257346192 ZINC | 0.600 | 207.2 Da LogP -2.65 TPSA 93.4 | ✓ Ro5 | ✓ Clean |
CN(C)[C@H]1[C@H](O)[C@H](O)[C@@H](CO)O[C@H]1O
|
| ZINC101411483 ZINC | 0.593 | 342.3 Da LogP -5.40 TPSA 189.5 | 2 viol. | ✓ Clean |
OC[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O[C@H…
|
| ZINC12358758 ZINC | 0.593 | 342.3 Da LogP -5.40 TPSA 189.5 | 2 viol. | ✓ Clean |
OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@…
|
| ZINC12358840 ZINC | 0.593 | 342.3 Da LogP -5.40 TPSA 189.5 | 2 viol. | ✓ Clean |
OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H](O)[C@H…
|
| ZINC12953204 ZINC | 0.593 | 342.3 Da LogP -5.40 TPSA 189.5 | 2 viol. | ✓ Clean |
OC[C@H]1O[C@@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H]…
|
| ZINC13542690 ZINC | 0.593 | 342.3 Da LogP -5.40 TPSA 189.5 | 2 viol. | ✓ Clean |
OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O)[C@@H…
|
| ZINC13544017 ZINC | 0.593 | 342.3 Da LogP -5.40 TPSA 189.5 | 2 viol. | ✓ Clean |
OC[C@H]1O[C@H](O[C@H]2[C@@H](CO)O[C@H](O)[C@H](…
|
| ZINC13549339 ZINC | 0.593 | 342.3 Da LogP -5.40 TPSA 189.5 | 2 viol. | ✓ Clean |
OC[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O[C@@H…
|
| ZINC169619623 ZINC | 0.593 | 342.3 Da LogP -5.40 TPSA 189.5 | 2 viol. | ✓ Clean |
OC[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O[C@H…
|
| ZINC1857776272 ZINC | 0.593 | 342.3 Da LogP -5.40 TPSA 189.5 | 2 viol. | ✓ Clean |
OC[C@H]1O[C@H](OC[C@@H]2O[C@H](O)[C@H](O)[C@@H]…
|
| ZINC1857776274 ZINC | 0.593 | 342.3 Da LogP -5.40 TPSA 189.5 | 2 viol. | ✓ Clean |
OC[C@H]1O[C@H](OC[C@@H]2O[C@H](O)[C@@H](O)[C@H]…
|
| ZINC1857777750 ZINC | 0.593 | 342.3 Da LogP -5.40 TPSA 189.5 | 2 viol. | ✓ Clean |
OC[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O[C@…
|
| ZINC2382416918 ZINC | 0.593 | 342.3 Da LogP -5.40 TPSA 189.5 | 2 viol. | ✓ Clean |
OC[C@@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O[C…
|
| ZINC2383776698 ZINC | 0.593 | 342.3 Da LogP -5.40 TPSA 189.5 | 2 viol. | ✓ Clean |
OC[C@@H]1O[C@@H](O[C@H]2[C@H](CO)O[C@@H](O)[C@@…
|
| ZINC238808850 ZINC | 0.593 | 666.6 Da LogP -9.75 TPSA 347.8 | 3 viol. | ✓ Clean |
OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@H](OC…
|
| ZINC238808929 ZINC | 0.593 | 828.7 Da LogP -11.92 TPSA 427.0 | 3 viol. | ✓ Clean |
OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]…
|
| ZINC238809271 ZINC | 0.593 | 990.9 Da LogP -14.10 TPSA 506.1 | 3 viol. | ✓ Clean |
OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]…
|
| ZINC238809273 ZINC | 0.593 | 990.9 Da LogP -14.10 TPSA 506.1 | 3 viol. | ✓ Clean |
OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]…
|
| ZINC242495944 ZINC | 0.593 | 342.3 Da LogP -5.40 TPSA 189.5 | 2 viol. | ✓ Clean |
OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@H]…
|
| ZINC245204569 ZINC | 0.593 | 342.3 Da LogP -5.40 TPSA 189.5 | 2 viol. | ✓ Clean |
OC[C@@H]1O[C@H](OC[C@@H]2O[C@H](O)[C@H](O)[C@H]…
|
| ZINC253615779 ZINC | 0.593 | 342.3 Da LogP -5.40 TPSA 189.5 | 2 viol. | ✓ Clean |
OC[C@@H]1O[C@H](OC[C@@H]2O[C@H](O)[C@H](O)[C@H]…
|
| ZINC253615781 ZINC | 0.593 | 342.3 Da LogP -5.40 TPSA 189.5 | 2 viol. | ✓ Clean |
OC[C@@H]1O[C@H](OC[C@@H]2O[C@H](O)[C@H](O)[C@@H…
|
| ZINC257362198 ZINC | 0.593 | 342.3 Da LogP -5.40 TPSA 189.5 | 2 viol. | ✓ Clean |
OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@H]…
|
| ZINC257362199 ZINC | 0.593 | 342.3 Da LogP -5.40 TPSA 189.5 | 2 viol. | ✓ Clean |
OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@H]…
|
| ZINC33821316 ZINC | 0.593 | 342.3 Da LogP -5.40 TPSA 189.5 | 2 viol. | ✓ Clean |
OC[C@H]1O[C@H](O[C@H]2[C@@H](CO)O[C@@H](O)[C@H]…
|
| ZINC3830982 ZINC | 0.593 | 342.3 Da LogP -5.40 TPSA 189.5 | 2 viol. | ✓ Clean |
OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@@H…
|
| ZINC3830984 ZINC | 0.593 | 342.3 Da LogP -5.40 TPSA 189.5 | 2 viol. | ✓ Clean |
OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@@H…
|
| ZINC38599730 ZINC | 0.593 | 342.3 Da LogP -5.40 TPSA 189.5 | 2 viol. | ✓ Clean |
OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@H]…
|
| ZINC38599734 ZINC | 0.593 | 342.3 Da LogP -5.40 TPSA 189.5 | 2 viol. | ✓ Clean |
OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@H]…
|
| ZINC44185569 ZINC | 0.593 | 342.3 Da LogP -5.40 TPSA 189.5 | 2 viol. | ✓ Clean |
OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@@H…
|
| ZINC53684310 ZINC | 0.593 | 342.3 Da LogP -5.40 TPSA 189.5 | 2 viol. | ✓ Clean |
OC[C@@H]1O[C@H](OC[C@@H]2O[C@H](O)[C@@H](O)[C@H…
|
| ZINC575127214 ZINC | 0.593 | 342.3 Da LogP -5.40 TPSA 189.5 | 2 viol. | ✓ Clean |
OC[C@@H]1O[C@H](OC[C@@H]2O[C@H](O)[C@H](O)[C@@H…
|
| ZINC575127215 ZINC | 0.593 | 342.3 Da LogP -5.40 TPSA 189.5 | 2 viol. | ✓ Clean |
OC[C@@H]1O[C@H](OC[C@@H]2O[C@H](O)[C@H](O)[C@@H…
|
| ZINC605694929 ZINC | 0.593 | 342.3 Da LogP -5.40 TPSA 189.5 | 2 viol. | ✓ Clean |
OC[C@@H]1O[C@@H](OC[C@@H]2O[C@H](O)[C@H](O)[C@@…
|
| ZINC605694930 ZINC | 0.593 | 342.3 Da LogP -5.40 TPSA 189.5 | 2 viol. | ✓ Clean |
OC[C@@H]1O[C@@H](OC[C@@H]2O[C@H](O)[C@H](O)[C@@…
|
| ZINC613838159 ZINC | 0.593 | 342.3 Da LogP -5.40 TPSA 189.5 | 2 viol. | ✓ Clean |
OC[C@@H]1O[C@H](OC[C@@H]2O[C@H](O)[C@H](O)[C@@H…
|
| ZINC64219261 ZINC | 0.593 | 342.3 Da LogP -5.40 TPSA 189.5 | 2 viol. | ✓ Clean |
OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@@H](O)[C@@…
|
| ZINC64219262 ZINC | 0.593 | 342.3 Da LogP -5.40 TPSA 189.5 | 2 viol. | ✓ Clean |
OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@@H](O)[C@@…
|
| ZINC72283165 ZINC | 0.593 | 342.3 Da LogP -5.40 TPSA 189.5 | 2 viol. | ✓ Clean |
OC[C@@H]1O[C@H](O[C@@H]2[C@H](CO)O[C@H](O)[C@H]…
|
| ZINC88466427 ZINC | 0.593 | 342.3 Da LogP -5.40 TPSA 189.5 | 2 viol. | ✓ Clean |
OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H…
|
| ZINC88466429 ZINC | 0.593 | 342.3 Da LogP -5.40 TPSA 189.5 | 2 viol. | ✓ Clean |
OC[C@H]1O[C@@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H]…
|
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.