Protein target profile
KP13_03469
Sugar isomerase (SIS) domain-containing protein
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
Risks to review
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 (%)
- 26.02 Lower values reduce human off-target concern.
- Human E-value
- 2.61e-09
- Gut microbiome similarity
- 0.1% 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.
Localization
- Localization
- Cytoplasmic
Structure confidence
- ColabFold pLDDT
- 95.36 0-100 confidence; >70 supports local structural interpretation.
Binding-site evidence
AlphaFold DB / UniProt modelThe selected pocket score is the FPocket value used for ranking after applying the curated structure priority. It estimates small-molecule pocket quality; it is not experimental binding evidence. The 3D viewer may show a different loaded structure, so visible pockets can differ.
Cross-references
External database identifiers for this protein, its structures, ligands, and metabolic reactions.
Sequence
Chemistry
Sequence
Primary amino-acid sequence viewer.
MHVEDYMNETPACLLAMLTQTREDLWQAAKALTERGVTRIILTGSGTSYHGALTARSFMQQWCGLPVDVYWPFLLDDSALTLSDKALVIGISQGGGSLSTLAAMERARAAGHLTASMAGEAPAVIDRAADLVLTVPCGEERAGAKTKGYHCTILNLMLLGLAVASRQRRLSDEERKALLIRMDTTFNHLPTLIEASQAWVLNHARPLIDSADIRLTGPARLFGTVQEGALKMLETLRCPVAGYEFEEFIHGIYNAFDERSTLIMLDPFPDERQDRLAEILGGWTQHIYRIGPQVENNGKNMPFAFINDPDFAVFEYIIPLQMVCARLPPVKGIDPAIPKDPQFHQKMKSKQLN
Functional annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Gene Ontology (GO)
6- GO:1901135 The chemical reactions and pathways involving carbohydrate derivative.
- GO:0097367 Binding to a carbohydrate derivative.
- GO:0004360 Catalysis of the reaction: D-fructose 6-phosphate + L-glutamine = D-glucosamine 6-phosphate + L-glutamate.
- GO:0006002 The chemical reactions and pathways involving fructose 6-phosphate, also known as F6P. The D-enantiomer is an important intermediate in glycolysis, gluconeogenesis, and fructose metabolism.
- GO:0006487 A protein glycosylation process in which a carbohydrate or carbohydrate derivative unit is added to a protein via the N4 atom of an asparagine residue.
- GO:0006047 The chemical reactions and pathways involving UDP-N-acetylglucosamine, a substance composed of N-acetylglucosamine, a common structural unit of oligosaccharides, in glycosidic linkage with uridine diphosphate.
Sequence domains and features
Domain and signature matches imported from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 183 | 328 | Gene3D | G3DSA:3.40.50.10490 | - |
| 2 | 338 | SUPERFAMILY | SSF53697 | SIS domain |
| 2 | 338 | InterPro | IPR046348 | SIS domain superfamily |
| 39 | 164 | CDD | cd05008 | SIS_GlmS_GlmD_1 |
| 39 | 164 | InterPro | IPR035466 | GlmS/AgaS, SIS domain 1 |
| 38 | 159 | Pfam | PF01380 | SIS domain |
| 38 | 159 | InterPro | IPR001347 | SIS domain |
| 24 | 339 | PANTHER | PTHR10937 | GLUCOSAMINE--FRUCTOSE-6-PHOSPHATE AMINOTRANSFERASE, ISOMERIZING |
| 2 | 181 | Gene3D | G3DSA:3.40.50.10490 | - |
| 204 | 346 | CDD | cd05009 | SIS_GlmS_GlmD_2 |
| 204 | 346 | InterPro | IPR035490 | GlmS/FrlB, SIS domain 2 |
| 28 | 169 | ProSiteProfiles | PS51464 | SIS domain profile. |
| 28 | 169 | InterPro | IPR001347 | SIS 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.
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
Probability: high ≥ 0.5 · medium 0.2–0.49 · low < 0.2
Binding pockets · FPocket
Druggability: high ≥ 0.7 · medium 0.4–0.69 · low < 0.4
Binding pockets · P2Rank
Probability: high ≥ 0.5 · medium 0.2–0.49 · low < 0.2
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_A0A0H3GL00
|
AlphaFold DB | — | — | full sequence | — | Viewing |
|
ColabFold
KP13_03469
|
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 and bioactivity evidence are both 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 |
|---|---|---|---|---|---|---|
| AGP RCSB PDB | P17169 | 261.2 Da LogP -3.50 TPSA 173.7 | 1 viol. | ✓ Clean |
C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)…
|
|
| F6R RCSB PDB | P17169 | 260.1 Da LogP -3.26 TPSA 164.8 | 1 viol. | ✓ Clean |
C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O
|
|
| G6Q RCSB PDB | P17169 | 260.1 Da LogP -3.26 TPSA 164.8 | 1 viol. | ✓ Clean |
C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)(O…
|
|
| HGA RCSB PDB | P17169 | 162.1 Da LogP -1.32 TPSA 112.7 | ✓ Ro5 | ✓ Clean |
C(CC(=O)NO)[C@@H](C(=O)O)N
|
|
| M6R RCSB PDB | P53704 | 261.2 Da LogP -3.50 TPSA 173.7 | 1 viol. | ✓ Clean |
C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N…
|
|
| UD1 RCSB PDB | P53704 | 607.4 Da LogP -4.65 TPSA 305.9 | 3 viol. | ✓ Clean |
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@]…
|
|
| UD2 RCSB PDB | Q06210-2 | 607.4 Da LogP -4.65 TPSA 305.9 | 3 viol. | ✓ Clean |
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@@](…
|
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).
| Ligand | UniProt (homolog) | pchembl | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|---|
| CHEMBL1911372 ChEMBL | Q06210 | 6.82 ~151.4 nM | 225.0 Da LogP -1.09 TPSA 92.4 | ✓ Ro5 | ✓ Clean |
N[C@@H](CNC(=O)CBr)C(=O)O
|
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 |
|---|---|---|---|---|---|
| ZINC100033330 ZINC | 1.000 | 260.1 Da LogP -3.26 TPSA 164.8 | 1 viol. | ✓ Clean |
O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)COP(=O)(O)O
|
| ZINC100067275 ZINC | 1.000 | 260.1 Da LogP -3.26 TPSA 164.8 | 1 viol. | ✓ Clean |
O=C[C@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O
|
| ZINC100889630 ZINC | 1.000 | 260.1 Da LogP -3.26 TPSA 164.8 | 1 viol. | ✓ Clean |
O=C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)O
|
| ZINC104861723 ZINC | 1.000 | 260.1 Da LogP -3.26 TPSA 164.8 | 1 viol. | ✓ Clean |
O=C[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)COP(=O)(O…
|
| ZINC12503760 ZINC | 1.000 | 260.1 Da LogP -3.26 TPSA 164.8 | 1 viol. | ✓ Clean |
O=C[C@H](O)[C@H](O)[C@H](O)[C@@H](O)COP(=O)(O)O
|
| ZINC12503763 ZINC | 1.000 | 260.1 Da LogP -3.26 TPSA 164.8 | 1 viol. | ✓ Clean |
O=C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)COP(=O)(O)O
|
| ZINC19850142 ZINC | 1.000 | 260.1 Da LogP -3.26 TPSA 164.8 | 1 viol. | ✓ Clean |
O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O
|
| ZINC2508229 ZINC | 1.000 | 260.1 Da LogP -3.26 TPSA 164.8 | 1 viol. | ✓ Clean |
O=C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O
|
| ZINC4545927 ZINC | 1.000 | 260.1 Da LogP -3.26 TPSA 164.8 | 1 viol. | ✓ Clean |
O=C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)(…
|
| ZINC4545928 ZINC | 1.000 | 260.1 Da LogP -3.26 TPSA 164.8 | 1 viol. | ✓ Clean |
O=C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)COP(=O)(O…
|
| ZINC4545929 ZINC | 1.000 | 260.1 Da LogP -3.26 TPSA 164.8 | 1 viol. | ✓ Clean |
O=C[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)COP(=O)(O…
|
| ZINC1530556 ZINC | 0.889 | 230.1 Da LogP -2.62 TPSA 144.5 | ✓ Ro5 | ✓ Clean |
O=C[C@H](O)[C@@H](O)[C@H](O)COP(=O)(O)O
|
| ZINC22116391 ZINC | 0.889 | 230.1 Da LogP -2.62 TPSA 144.5 | ✓ Ro5 | ✓ Clean |
O=C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O
|
| ZINC3606137 ZINC | 0.889 | 230.1 Da LogP -2.62 TPSA 144.5 | ✓ Ro5 | ✓ Clean |
O=C[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O
|
| ZINC3869426 ZINC | 0.889 | 230.1 Da LogP -2.62 TPSA 144.5 | ✓ Ro5 | ✓ Clean |
O=C[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)O
|
| ZINC8551307 ZINC | 0.889 | 230.1 Da LogP -2.62 TPSA 144.5 | ✓ Ro5 | ✓ Clean |
O=C[C@H](O)[C@H](O)[C@@H](O)COP(=O)(O)O
|
| ZINC8551308 ZINC | 0.889 | 230.1 Da LogP -2.62 TPSA 144.5 | ✓ Ro5 | ✓ Clean |
O=C[C@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)O
|
| ZINC1532601 ZINC | 0.750 | 200.1 Da LogP -1.98 TPSA 124.3 | ✓ Ro5 | ✓ Clean |
O=C[C@@H](O)[C@H](O)COP(=O)(O)O
|
| ZINC32786787 ZINC | 0.750 | 200.1 Da LogP -1.98 TPSA 124.3 | ✓ Ro5 | ✓ Clean |
O=C[C@H](O)[C@H](O)COP(=O)(O)O
|
| ZINC2516111 ZINC | 0.724 | 262.2 Da LogP -3.47 TPSA 167.9 | 1 viol. | ✓ Clean |
O=P(O)(O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO
|
| ZINC2522704 ZINC | 0.724 | 262.2 Da LogP -3.47 TPSA 167.9 | 1 viol. | ✓ Clean |
O=P(O)(O)OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO
|
| ZINC3869812 ZINC | 0.724 | 262.2 Da LogP -3.47 TPSA 167.9 | 1 viol. | ✓ Clean |
O=P(O)(O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
|
| ZINC100657408 ZINC | 0.710 | 259.2 Da LogP -3.30 TPSA 170.5 | 1 viol. | ✓ Clean |
N[C@H](C=O)[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O
|
| ZINC215934438 ZINC | 0.710 | 259.2 Da LogP -3.30 TPSA 170.5 | 1 viol. | ✓ Clean |
N[C@H](C=O)[C@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)O
|
| ZINC255961849 ZINC | 0.710 | 259.2 Da LogP -3.30 TPSA 170.5 | 1 viol. | ✓ Clean |
N[C@H](C=O)[C@H](O)[C@H](O)[C@@H](O)COP(=O)(O)O
|
| ZINC255961850 ZINC | 0.710 | 259.2 Da LogP -3.30 TPSA 170.5 | 1 viol. | ✓ Clean |
N[C@H](C=O)[C@H](O)[C@@H](O)[C@H](O)COP(=O)(O)O
|
| ZINC5132021 ZINC | 0.710 | 259.2 Da LogP -3.30 TPSA 170.5 | 1 viol. | ✓ Clean |
N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O
|
| ZINC1532902 ZINC | 0.700 | 206.2 Da LogP -0.86 TPSA 132.1 | ✓ Ro5 | ✓ Clean |
O=C(O)CC[C@@](O)(CC(=O)O)C(=O)O
|
| ZINC2018106 ZINC | 0.700 | 206.2 Da LogP -0.86 TPSA 132.1 | ✓ Ro5 | ✓ Clean |
O=C(O)CC[C@](O)(CC(=O)O)C(=O)O
|
| ZINC13518200 ZINC | 0.688 | 276.2 Da LogP -2.32 TPSA 144.5 | 1 viol. | ✓ Clean |
O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](S)COP(=O)(O)O
|
| ZINC3593496 ZINC | 0.652 | 206.2 Da LogP -1.16 TPSA 121.1 | ✓ Ro5 | ✓ Clean |
COC(=O)C[C@@](O)(CC(=O)O)C(=O)O
|
| ZINC3593497 ZINC | 0.652 | 206.2 Da LogP -1.16 TPSA 121.1 | ✓ Ro5 | ✓ Clean |
COC(=O)C[C@](O)(CC(=O)O)C(=O)O
|
| ZINC12959005 ZINC | 0.632 | 484.1 Da LogP -2.50 TPSA 264.4 | 2 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@H](CO[P@](=O)(O)O[P@](=O)(O)…
|
| ZINC12959016 ZINC | 0.632 | 484.1 Da LogP -2.50 TPSA 264.4 | 2 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@@H](CO[P@](=O)(O)O[P@](=O)(O…
|
| ZINC13548378 ZINC | 0.632 | 484.1 Da LogP -2.50 TPSA 264.4 | 2 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(…
|
| ZINC25726233 ZINC | 0.632 | 484.1 Da LogP -2.50 TPSA 264.4 | 2 viol. | ✓ Clean |
O=c1ccn([C@H]2O[C@@H](CO[P@](=O)(O)O[P@](=O)(O)…
|
| ZINC3861755 ZINC | 0.632 | 484.1 Da LogP -2.50 TPSA 264.4 | 2 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(…
|
| ZINC3875255 ZINC | 0.632 | 484.1 Da LogP -2.50 TPSA 264.4 | 2 viol. | ✓ Clean |
O=c1ccn([C@H]2O[C@@H](CO[P@@](=O)(O)O[P@@](=O)(…
|
| ZINC3875256 ZINC | 0.632 | 484.1 Da LogP -2.50 TPSA 264.4 | 2 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@@H](CO[P@@](=O)(O)O[P@@](=O)…
|
| ZINC3875257 ZINC | 0.632 | 484.1 Da LogP -2.50 TPSA 264.4 | 2 viol. | ✓ Clean |
O=c1ccn([C@H]2O[C@@H](CO[P@@](=O)(O)O[P@@](=O)(…
|
| ZINC3875258 ZINC | 0.632 | 484.1 Da LogP -2.50 TPSA 264.4 | 2 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@@H](CO[P@@](=O)(O)O[P@@](=O)…
|
| ZINC88466482 ZINC | 0.632 | 484.1 Da LogP -2.50 TPSA 264.4 | 2 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(…
|
| ZINC40655887 ZINC | 0.627 | 404.2 Da LogP -2.62 TPSA 217.8 | 1 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[…
|
| ZINC40655889 ZINC | 0.627 | 404.2 Da LogP -2.62 TPSA 217.8 | 1 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(O)O)…
|
| ZINC44460318 ZINC | 0.627 | 404.2 Da LogP -2.62 TPSA 217.8 | 1 viol. | ✓ Clean |
O=c1ccn([C@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(O)O)…
|
| ZINC4490939 ZINC | 0.627 | 404.2 Da LogP -2.62 TPSA 217.8 | 1 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(O)O)…
|
| ZINC8585026 ZINC | 0.627 | 404.2 Da LogP -2.62 TPSA 217.8 | 1 viol. | ✓ Clean |
O=c1ccn([C@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(O)O)…
|
| ZINC8585028 ZINC | 0.627 | 404.2 Da LogP -2.62 TPSA 217.8 | 1 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(O)O…
|
| ZINC8585030 ZINC | 0.627 | 404.2 Da LogP -2.62 TPSA 217.8 | 1 viol. | ✓ Clean |
O=c1ccn([C@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(O)O)…
|
| ZINC8585032 ZINC | 0.627 | 404.2 Da LogP -2.62 TPSA 217.8 | 1 viol. | ✓ Clean |
O=c1ccn([C@@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(O)O…
|
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.