Protein target profile

KP13_01076

D-galactarate dehydratase

Genome: KpKP13 Gene: AHE42531.1 garD 3D evidence: AlphaFold DB model + ColabFold model UniProt A0A0H3H3E1
Length 523
Pocket druggability 0.83
Direct ligand evidence 0 2 total records
Functional annotation 0 EC 3 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
No hit
Gut microbiome similarity
3.6% of screened genomes Lower prevalence suggests narrower overlap with the screened gut microbiome.

Essentiality

Essential (DEG)
Y
DEG identity (%)
92.925 Higher values support similarity to known essential genes.
DEG E-value
0.0 Smaller values mean stronger essential-gene similarity.

Localization

Localization
Cytoplasmic

Structure confidence

ColabFold pLDDT
93.07 0-100 confidence; >70 supports local structural interpretation.

Binding-site evidence

AlphaFold DB / UniProt model

The 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.

FPocket 0.83
Structure A0A0H3H3E1
Pocket Pocket 3
P2Rank 0.445
Structure A0A0H3H3E1
Pocket Pocket 1
ColabFold model
FPocket 0.716 · Pocket 29
P2Rank 0.533 · Pocket 1
Core conservation Conserved core gene
Roary core
CoreCruncher core
Gut microbiome 170 / 4744 genomes with a hit
Prevalence 3.6%

Cross-references

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

Sequence

Primary amino-acid sequence viewer.

MADIAIRQQSPTAFYIKVDPTDNVAIIVNDRGLTAGTRFPDGLTLVEHIPQGHKVALVDIPAHGEIIRYGEVIGYAVRDIPQGSWIDESLVELPTAPPLNTLPLATKVPEPLPPLEGYTFEGYRNADGSVGTKNLLGITTSVHCVAGVVDYVVKIIERDLLPNYPNVDGVVGLNHLYGCGVAINAPAAVVPIRTIHNIALNPNFGGEVMVIGLGCEKLQPERLLQGTEDVKSIPVDSASIVSLQDEKHVGFKSMVDEILQVAERHLAKLNQRQRETCPASELVVGMQCGGSDAFSGVTANPAVGYASDLLVRCGATVMFSEVTEVRDAIHLLTPRAINEEVGKRLLEEMAWYDNYLDMGKTDRSANPSPGNKKGGLANVVEKALGSIAKSGKSAIVEVLSPGQRPTKRGLIYAATPASDFVCGTQQVASGITVQVFTTGRGTPYGLMAVPVIKMATRTELANRWYDLMDINAGTIATGEETIEDVGRKLFEFILDVASGRKKTFSDQWGLHNQLAVFNPAPVT

Functional annotations

Enzyme classification and Gene Ontology terms linked to this protein.

3 GO

Gene Ontology (GO)

3
  • GO:0016829 Catalysis of the cleavage of C-C, C-O, C-N and other bonds by other means than by hydrolysis or oxidation, or conversely adding a group to a double bond. They differ from other enzymes in that two substrates are involved in one reaction direction, but only one in the other direction. When acting on the single substrate, a molecule is eliminated and this generates either a new double bond or a new ring.
  • GO:0008867 Catalysis of the reaction: galactarate = 5-dehydro-4-deoxy-D-glucarate + H2O.
  • GO:0046392 The chemical reactions and pathways resulting in the breakdown of D-galactarate, the anion of galactaric acid.

Sequence domains and features

Domain and signature matches imported from InterPro and related databases.

15 records
Show feature table
Start End DB Term Name
119 520 Pfam PF04295 D-galactarate dehydratase / Altronate hydrolase, C terminus
119 520 InterPro IPR007392 D-galactarate/Altronate dehydratase, C-terminal
15 523 NCBIfam TIGR03248 galactarate dehydratase
15 523 InterPro IPR017654 Galactarate dehydratase GarD-like
14 91 Gene3D G3DSA:2.30.130.110 -
22 91 Pfam PF08666 SAF domain
22 91 InterPro IPR013974 SAF domain
15 86 CDD cd11613 SAF_AH_GD
15 86 InterPro IPR044144 UxaA/GarD, SAF domain
14 91 FunFam G3DSA:2.30.130.110:FF:000001 Galactarate dehydratase (L-threo-forming)
22 92 SMART SM00858 SAF_3
22 92 InterPro IPR013974 SAF domain
2 523 Hamap MF_02031 Galactarate dehydratase (L-threo-forming) [garD].
2 523 InterPro IPR032893 Galactarate dehydratase (L-threo-forming) GarD, Enterobacteriaceae
14 522 PANTHER PTHR30536 ALTRONATE/GALACTARATE DEHYDRATASE

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 · FPocket

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

Site 1 FPocket #3
0.83
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Surrounding area
Site 2 FPocket #23
0.335
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Surrounding area
Site 3 FPocket #1
0.237
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Surrounding area

Binding pockets · P2Rank

Probability: high ≥ 0.5 · medium 0.2–0.49 · low < 0.2

Site 1 P2Rank #1
0.445
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Surrounding area
Site 2 P2Rank #2
0.09
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Surrounding area
Site 3 P2Rank #3
0.075
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Surrounding area
Site 4 P2Rank #4
0.069
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Surrounding area
Site 5 P2Rank #5
0.062
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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_A0A0H3H3E1
AlphaFold DB full sequence Viewing
ColabFold KP13_01076
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.

2 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 1 similarity-based ZINC candidates
Best available ligand signal
MLA PDB via homolog 104.1 Da · LogP -0.45 · TPSA 74.6 Open detail RCSB PDB
ZINC138079998 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
MLA RCSB PDB A0A0H2VY20 104.1 Da LogP -0.45 TPSA 74.6 ✓ Ro5 ✓ Clean C(C(=O)O)C(=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.