KpATCC43816 Protein target profile

sucrose-6-phosphate hydrolase

Accession: VK055_4263

Gene: sacA AIK82808.1 3D evidence: AlphaFold DB model + ColabFold model Metabolism 8 reactions UniProt A0A0H3H2E4

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Length 478

Pocket druggability (P2Rank · AlphaFold DB model) 0.863

Metabolic reactions 8

Chokepoint Yes

Direct ligand evidence 0 52 total records

Functional annotation 1 EC 5 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

Metabolic chokepoint Catalyzes a reaction that is the only producer or consumer of a metabolite in the imported metabolic model. Central metabolic position More central than 88.8% of genes in this genome. 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. Review the complete evidence below

Risks to review

Evidence coverage

Core evidence streams are available for this target.

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): N
DEG identity (%): 36.034 Higher values support similarity to known essential genes.

Structure confidence

ColabFold pLDDT: 97.1 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) 0.863

Structure A0A0H3H2E4

Pocket Pocket 1

Druggability (FPocket) 0.304

Structure A0A0H3H2E4

Pocket Pocket 2

ColabFold model

P2Rank 0.882 · Pocket 1

FPocket 0.697 · Pocket 13

Core conservation Conserved core gene

Roary core

CoreCruncher core

Gut microbiome 54 / 4744 genomes with a hit

Prevalence 1.1%

Metabolic context

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

Explore metabolic network

Attractive metabolic target: catalyzes a consuming chokepoint reaction, more central than 88.8% of genes in this genome, no human homolog detected.

Relative network centrality 88.8% more central than 88.8% of genes in this genome

Chokepoint Chokepoint gene

Imported from KpATCC43816.sbml · 2026-07-09

Sequence

Primary amino-acid sequence viewer.

MMTYTISRAEQVLQTQRQALNLRWYPHYHLAARAGWINDPNGLVWFDGWYHAFYQHHPYSTQWGPMHWGHARSKDLVHWEHLPVALAPEGPEDKDGCFSGSAVVDGDTLALIYTGHKFHGDPGDEANLYQVQCLATSRDGIHFERQGMVVDTPPGMHHFRDPKVWREGDSWYMIVGAREGDTGQVRLYRSADLRQWQDAGVLDEAESTMGYMWECPDFFTLNGKRVLMFSPQGMQAAGFSNRNLFQSGYLIGEWQPGQRFIRHGEFREMDNGHDFYAPQSFSTPDGRRIVIGWLDMWESPLPEQQDGWAGMLSLPRELSLSADDRLQMRPAKEVESLRGAWFPWPVSTLNNQQTTMVDNCEAMEVNLRWDCARSSAEQYGLRFGDGLRIYVDAQQQRLVLERHYPQYGLCGTRSVPLTAGADLNLRIFFDSSSVEVFVNDGEACLSSRIYPQAPRRELALFAWSGSAALTEAGAWQLE

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

1 EC 5 GO

Subcellular localization

Localization: Cytoplasmic

Enzyme Commission (EC)

3.2.1.26

Gene Ontology (GO)

GO:0004564 Catalysis of the reaction: a fructofuranosylated fructofuranosyl acceptor + H2O = a non fructofuranosylated fructofuranosyl acceptor + a beta-D-fructofuranoside.
GO:0004553 Catalysis of the hydrolysis of any O-glycosyl bond.
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:0005737 The contents of a cell excluding the plasma membrane and nucleus, but including other subcellular structures.
GO:0005985 The chemical reactions and pathways involving sucrose, the disaccharide fructofuranosyl-glucopyranoside.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

17 records

Show feature table

Start	End	DB	Term	Name
348	476	Pfam	PF08244	Glycosyl hydrolases family 32 C terminal
348	476	InterPro	IPR013189	Glycosyl hydrolase family 32, C-terminal
9	477	PANTHER	PTHR43101	BETA-FRUCTOSIDASE
21	330	SUPERFAMILY	SSF75005	Arabinanase/levansucrase/invertase
21	330	InterPro	IPR023296	Glycosyl hydrolase, five-bladed beta-propellor domain superfamily
14	452	NCBIfam	TIGR01322	sucrose-6-phosphate hydrolase
14	452	InterPro	IPR006232	Sucrose-6-phosphate hydrolase
330	478	SUPERFAMILY	SSF49899	Concanavalin A-like lectins/glucanases
330	478	InterPro	IPR013320	Concanavalin A-like lectin/glucanase domain superfamily
29	441	SMART	SM00640	glyco_32
29	441	InterPro	IPR001362	Glycoside hydrolase, family 32
35	320	CDD	cd08996	GH32_FFase
2	342	Gene3D	G3DSA:2.115.10.20	Glycosyl hydrolase domain; family 43
2	342	InterPro	IPR023296	Glycosyl hydrolase, five-bladed beta-propellor domain superfamily
29	330	Pfam	PF00251	Glycosyl hydrolases family 32 N-terminal domain
29	330	InterPro	IPR013148	Glycosyl hydrolase family 32, N-terminal
346	478	Gene3D	G3DSA:2.60.120.560	-

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

0.863

Likely same site as FPocket 2 1.3 Å 15 shared residues 94% of smaller site

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Surrounding area

Pocket 2 P2Rank #2

0.123

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Surrounding area

Pocket 3 P2Rank #3

0.068

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Surrounding area

Pocket 4 P2Rank #4

0.065

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Surrounding area

Pocket 5 P2Rank #5

0.047

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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 #2

0.304

Likely same site as P2Rank 1 1.3 Å 15 shared residues 94% of smaller site

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Surrounding area

Binding pockets · P2Rank

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

Pocket 1 P2Rank #1

0.882

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Surrounding area

Pocket 2 P2Rank #2

0.216

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Surrounding area

Pocket 3 P2Rank #3

0.163

Likely same site as FPocket 16 1.3 Å 10 shared residues 91% of smaller site

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Surrounding area

Pocket 4 P2Rank #4

0.064

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Surrounding area

Pocket 5 P2Rank #5

0.052

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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 #13

0.697

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Surrounding area

Pocket 2 FPocket #16

0.256

Likely same site as P2Rank 3 1.3 Å 10 shared residues 91% of smaller site

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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_A0A0H3H2E4	AlphaFold DB	—	—	full sequence	—	Viewing
ColabFold VK055_4263	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.

52 records

Chemistry signal

Structural ligand evidence is available for this target.

Direct evidence 0 same-protein records

Transferred evidence 2 records from similar proteins

Structural ligands 2 0 loaded crystals

Measured bioactivity 0 direct and transferred ChEMBL records

Proposed compounds 50 similarity-based ZINC candidates

Best available ligand signal

DQQ PDB via homolog 163.2 Da · LogP -2.97 · TPSA 93.0 Open detail RCSB PDB

FRU PDB via homolog Detail RCSB PDB

ZINC13551953 ZINC proposed compound · Tanimoto 0.875 Detail ZINC

ZINC13761953 ZINC proposed compound · Tanimoto 0.875 Detail ZINC

ZINC4095790 ZINC proposed compound · Tanimoto 0.875 Detail ZINC

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
DQQ RCSB PDB	2AEY	Q93X60	163.2 Da LogP -2.97 TPSA 93.0	✓ Ro5	✓ Clean	`C([C@@H]1[C@H]([C@@H]([C@H](N1)CO)O)O)O`
FRU RCSB PDB	2XQR	Q43866	180.2 Da LogP -3.22 TPSA 110.4	✓ Ro5	✓ Clean	`C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)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
ZINC13551953 ZINC	0.875	210.2 Da LogP -3.86 TPSA 130.6	1 viol.	✓ Clean	`OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H](O)[C@@H]1O`
ZINC13761953 ZINC	0.875	210.2 Da LogP -3.86 TPSA 130.6	1 viol.	✓ Clean	`OC[C@H]1O[C@@](O)(CO)[C@H](O)[C@@H](O)[C@@H]1O`
ZINC4095790 ZINC	0.875	210.2 Da LogP -3.86 TPSA 130.6	1 viol.	✓ Clean	`OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@H](O)[C@@H]1O`
ZINC4097479 ZINC	0.875	210.2 Da LogP -3.86 TPSA 130.6	1 viol.	✓ Clean	`OC[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H](O)[C@@H]1O`
ZINC65743154 ZINC	0.875	210.2 Da LogP -3.86 TPSA 130.6	1 viol.	✓ Clean	`OC[C@@H]1O[C@](O)(CO)[C@@H](O)[C@H](O)[C@@H]1O`
ZINC65743155 ZINC	0.875	210.2 Da LogP -3.86 TPSA 130.6	1 viol.	✓ Clean	`OC[C@H]1O[C@](O)(CO)[C@H](O)[C@H](O)[C@@H]1O`
ZINC65743156 ZINC	0.875	210.2 Da LogP -3.86 TPSA 130.6	1 viol.	✓ Clean	`OC[C@@H]1O[C@](O)(CO)[C@H](O)[C@H](O)[C@@H]1O`
ZINC95884212 ZINC	0.875	210.2 Da LogP -3.86 TPSA 130.6	1 viol.	✓ Clean	`OC[C@H]1O[C@](O)(CO)[C@H](O)[C@@H](O)[C@@H]1O`
ZINC34543671 ZINC	0.645	205.2 Da LogP -1.90 TPSA 138.9	✓ Ro5	Alert	`[N-]=[N+]=NC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O`
ZINC95921630 ZINC	0.645	205.2 Da LogP -1.90 TPSA 138.9	✓ Ro5	Alert	`[N-]=[N+]=NC[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H]1O`
ZINC2037887790 ZINC	0.583	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@H](OC[C@@H]2O[C@](O)(CO)[C@H](O)[C@…`
ZINC2037887791 ZINC	0.583	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@H](OC[C@@H]2O[C@](O)(CO)[C@@H](O)[C…`
ZINC4095713 ZINC	0.583	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@H](OC[C@H]2O[C@@](O)(CO)[C@@H](O)[C…`
ZINC4095714 ZINC	0.583	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@H](OC[C@H]2O[C@](O)(CO)[C@@H](O)[C@…`
ZINC64219256 ZINC	0.583	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@H](OC[C@H]2O[C@@](O)(CO)[C@@H](O)[…`
ZINC64219257 ZINC	0.583	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@H](OC[C@@H]2O[C@@](O)(CO)[C@@H](O)[…`
ZINC64219258 ZINC	0.583	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@H](OC[C@@H]2O[C@@](O)(CO)[C@@H](O)…`
ZINC100351924 ZINC	0.559	260.1 Da LogP -3.10 TPSA 156.9	1 viol.	✓ Clean	`O=P(O)(O)OC[C@@H]1O[C@](O)(CO)[C@@H](O)[C@H]1O`
ZINC105102137 ZINC	0.559	247.3 Da LogP -1.73 TPSA 93.4	✓ Ro5	✓ Clean	`OC[C@@H]1O[C@](O)(CN2CCCCC2)[C@@H](O)[C@H]1O`
ZINC105102147 ZINC	0.559	247.3 Da LogP -1.73 TPSA 93.4	✓ Ro5	✓ Clean	`OC[C@@H]1O[C@](O)(CN2CCCCC2)[C@H](O)[C@H]1O`
ZINC12504372 ZINC	0.559	260.1 Da LogP -3.10 TPSA 156.9	1 viol.	✓ Clean	`O=P(O)(O)OC[C@@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O`
ZINC138814335 ZINC	0.559	260.1 Da LogP -3.10 TPSA 156.9	1 viol.	✓ Clean	`O=P(O)(O)OC[C@H]1O[C@](O)(CO)[C@H](O)[C@H]1O`
ZINC1532531 ZINC	0.559	260.1 Da LogP -3.10 TPSA 156.9	1 viol.	✓ Clean	`O=P(O)(O)OC[C@@H]1O[C@](O)(CO)[C@H](O)[C@H]1O`
ZINC1532847 ZINC	0.559	260.1 Da LogP -3.10 TPSA 156.9	1 viol.	✓ Clean	`O=P(O)(O)OC[C@@H]1O[C@](O)(CO)[C@H](O)[C@@H]1O`
ZINC1719118 ZINC	0.559	247.3 Da LogP -1.73 TPSA 93.4	✓ Ro5	✓ Clean	`OC[C@@H]1O[C@](O)(CN2CCCCC2)[C@H](O)[C@@H]1O`
ZINC3869912 ZINC	0.559	260.1 Da LogP -3.10 TPSA 156.9	1 viol.	✓ Clean	`O=P(O)(O)OC[C@]1(O)O[C@H](CO)[C@@H](O)[C@@H]1O`
ZINC3869919 ZINC	0.559	260.1 Da LogP -3.10 TPSA 156.9	1 viol.	✓ Clean	`O=P(O)(O)OC[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H]1O`
ZINC4095539 ZINC	0.559	260.1 Da LogP -3.10 TPSA 156.9	1 viol.	✓ Clean	`O=P(O)(O)OC[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H]1O`
ZINC4096690 ZINC	0.559	260.1 Da LogP -3.10 TPSA 156.9	1 viol.	✓ Clean	`O=P(O)(O)OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O`
ZINC4896145 ZINC	0.559	247.3 Da LogP -1.73 TPSA 93.4	✓ Ro5	✓ Clean	`OC[C@@H]1O[C@](O)(CN2CCCCC2)[C@@H](O)[C@@H]1O`
ZINC56874962 ZINC	0.559	260.1 Da LogP -3.10 TPSA 156.9	1 viol.	✓ Clean	`O=P(O)(O)OC[C@H]1O[C@](O)(CO)[C@H](O)[C@@H]1O`
ZINC25721643 ZINC	0.543	249.3 Da LogP -2.88 TPSA 102.6	✓ Ro5	✓ Clean	`OC[C@H]1O[C@@](O)(CN2CCOCC2)[C@@H](O)[C@@H]1O`
ZINC25721649 ZINC	0.543	249.3 Da LogP -2.88 TPSA 102.6	✓ Ro5	✓ Clean	`OC[C@H]1O[C@](O)(CN2CCOCC2)[C@@H](O)[C@@H]1O`
ZINC253681754 ZINC	0.538	247.3 Da LogP -0.63 TPSA 93.0	✓ Ro5	✓ Clean	`CCCCCC[C@@H]1N[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O`
ZINC253681762 ZINC	0.538	247.3 Da LogP -0.63 TPSA 93.0	✓ Ro5	✓ Clean	`CCCCCC[C@@H]1N[C@H](CO)[C@H](O)[C@H](O)[C@H]1O`
ZINC253681766 ZINC	0.538	247.3 Da LogP -0.63 TPSA 93.0	✓ Ro5	✓ Clean	`CCCCCC[C@@H]1N[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O`
ZINC253681771 ZINC	0.538	247.3 Da LogP -0.63 TPSA 93.0	✓ Ro5	✓ Clean	`CCCCCC[C@@H]1N[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O`
ZINC247868245 ZINC	0.520	243.2 Da LogP -3.75 TPSA 147.3	1 viol.	✓ Clean	`O=S(=O)(O)[C@@H]1N[C@H](CO)[C@H](O)[C@@H](O)[C@…`
ZINC247868249 ZINC	0.520	243.2 Da LogP -3.75 TPSA 147.3	1 viol.	✓ Clean	`O=S(=O)(O)[C@@H]1N[C@H](CO)[C@H](O)[C@@H](O)[C@…`
ZINC34277667 ZINC	0.520	243.2 Da LogP -3.75 TPSA 147.3	1 viol.	✓ Clean	`O=S(=O)(O)[C@@H]1N[C@H](CO)[C@H](O)[C@H](O)[C@@…`
ZINC34570867 ZINC	0.520	243.2 Da LogP -3.75 TPSA 147.3	1 viol.	✓ Clean	`O=S(=O)(O)[C@@H]1N[C@H](CO)[C@H](O)[C@H](O)[C@H…`
ZINC5830003 ZINC	0.520	243.2 Da LogP -3.75 TPSA 147.3	1 viol.	✓ Clean	`O=S(=O)(O)[C@@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@…`
ZINC12494320 ZINC	0.514	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H]1O[C@@H]1O[…`
ZINC1529018664 ZINC	0.514	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@@](O)(CO)[C…`
ZINC15657774 ZINC	0.514	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@](O)(CO)O[C@@…`
ZINC1857525442 ZINC	0.514	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@@](O)(CO)[C@H](O)[C@@H]1O[C@H]1O[C…`
ZINC1857525445 ZINC	0.514	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O[C@H]1O[C…`
ZINC253532685 ZINC	0.514	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@](O)(CO)[C@H](O)[C@@H]1O[C@H]1O[C@…`
ZINC253532687 ZINC	0.514	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@@H]1O[C@@](O)(CO)[C@H](O)[C@@H]1O[C@H]1O[C…`
ZINC8952511 ZINC	0.514	342.3 Da LogP -5.40 TPSA 189.5	2 viol.	✓ Clean	`OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@](O)(CO)O[C@@…`

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.

Sequence

UniProt A0A0H3H2E4

Pathways

BioCyc 3.2.1.48-RXN-SUCROSE/WATER//BETA-D-FRUCTOSE/ALPHA-GLUCOSE.45. BioCyc RXN-9985 KEGG R00802 BioCyc 3.2.1.48-RXN BioCyc 3.2.1.48-RXN-SUCROSE/WATER//BETA-D-FRUCTOSE/GLC.35. BioCyc RXN-22587 BioCyc RXN-22587-INULOBIOSE/WATER//CPD-10723.28. BioCyc RXN-22587-INULOBIOSE/WATER//BETA-D-FRUCTOSE.34. BioCyc 3.2.1.26-RXN